Publons: https://publons.com/researcher/1317741/

2024

  • 465. Xinnan Mao, Lu Wang*, Youyong Li*, "Understanding pH-Dependent Oxygen Reduction Reaction on Metal Alloy Catalysts", ACS Catal. 2024, 14, 5429.
  • 464. Tianyu Gao, Yujin, Ji*, Cheng Liu, Youyong Li*, "Molecular descriptor-enhanced graph neural network for energetic molecular property prediction", Science China Materials, 2024, doi: 10.1007/s40843-023-2848-8.
  • 463. Xiaofang Liu, Jie Feng, Xuefeng Cheng, Jinchang Zhang, Jinyan Huo, Dongyun Chen, Antonio Marcomini, Youyong Li, Qingfeng Xu, Jianmei Lu, "High C-Selectivity for Urea Synthesis Through O-Philic Adsorption to Form *OCO Intermediate on Ti-MOF Based Electrocatalysts", Adv. Funct. Mater.2024, 2400892.
  • 462. Ping Hu, Congyang Zhang, Mingyu Chu, Xianpeng Wang, Lu Wang, Youyong Li, Tianran Yan, Liang Zhang, Zhifeng Ding, Muhan Cao, Panpan Xu, Yifan Li, Yi Cui, Qiao Zhang, Jinxing Chen, and Lifeng Chi, "Stable Interfacial Ruthenium Species for Highly Efficient Polyolefin Upcycling", J. Am. Chem. Soc. 2024, 146, 7076.
  • 461. Shikai Chang, Hongshuai Wang, Yujin Ji*, Youyong Li*, "Influence factors of CO adsorption on C2N-supported dual-atom catalysts unveiled by machine learning and twofold feature engineering", Phys. Chem. Chem. Phys., 2024, 26, 9350.
  • 460. Yanxia Ma, Fangfang Zheng, Yuyan Liu, Yujin Ji*, Youyong Li*, "Theoretical insights of penta-M2N4 for oxygen reduction electrocatalysis", Applied Surface Science, 2024, 654, 159445.
  • 459. Lin Kang, Cheng Liu, Jinyu Ye, Wenzhe Niu, Xiaowen Cui, Yajie Zhu, Liangyao Xue, Jiaqi Zhang, Lirong Zheng, Youyong Li, and Bo Zhang, "PolypyrroleregulatesActiveSitesin Co-basedCatalystinDirectBorohydrideFuel Cell", ChemSusChem 2024, e202301.

2023

  • 458. Jie Feng, Zhihao Dong, Yujin Ji*, Youyong Li*, "Accelerating the discovery of Metastable IrO2 for the oxygen evolution reaction by self-learning-input Graph Neural Network", JACS Au, 2023, 3, 1131.
  • 457. Jie Feng, Yujin Ji*, Youyong Li*, "In silico design of copper-based alloys for ammonia synthesis from nitric oxide reduction accelerated by machine learning", J. Mater. Chem. A, 2023, 11, 14195.
  • 456. Zhihao Dong, Jie Feng, Yujin Ji*, Youyong Li*, "SLI-GNN: A Self-Learning-Input Graph Neural Network for Predicting Crystal and Molecular Properties", J. Phys. Chem. A, 2023, 127, 5921.
  • 455. Zhihao Dong, Yujin Ji, and Youyong Li*, "Accelerated prediction of perovskite material properties with classical machine learning and graph neural network", Materials Express. 2023, 13, 695.
  • 454. Hongshuai Wang, Jie Feng, Zhihao Dong, Lujie Jin, Miaomiao Li, Jianyu Yuan*, and Youyong Li*, "Efficient screening framework for organic solar cells with deep learning and ensemble learning", npj Computational Materials, 2023, 200.
  • 453. Hongshuai Wang, Lujie Jin, Jie Feng, Zhihao Dong, Weiqiao Deng*, Youyong Li*, "Molecular represention in AI-assisted synthesis chemistry: from sequence to graph", SCIENTIA SINICA Chimica 2023, 53, 107.
  • 452. Xinnan Mao, Lu Wang*, and Youyong Li*, "Machine-Learning-Assisted Discovery of High-Efficient Oxygen Evolution Electrocatalysts ", J. Phys. Chem. Lett. 2023, 14, 170-177.
  • 451. Lujie Jin, Hongshuai Wang, Hao Zhao, Yujin Ji*, Youyong Li*, "Unfolding the structure-property relationships of Li2S anchoring on two-dimensional materials with high-throughput calculations and machine learning", J. Ener. Chem. 2023, 82, 31.
  • 450. Yan-Jun Yu, Hong-Shuai Wang, Jia-Lin Pan, Sheng-Nan Li, Wan-Shan Shen, Shu-Ning Cheng, Lu-Jie Jin, Ya-Kun Wang,* You-Yong Li,* and Liang-Sheng Liao*, "Monovalent Charge Compensation Enables Efficient Lanthanide-Based Near-Infrared Perovskite LEDs", Adv. Funct. Mater. 2023, 2305125.
  • 449. Shuang-Qiao Sun, Qi Sun, Yu-Jin Ji, Yan-Lin Xu, Wei He, Min Zhu, Jun-Gui Zhou, You-Jun Yu, Dan-Dan Feng, Yue-Min Xie,* You-Yong Li,* and Man-Keung Fung*, "Multidentate Molecule Anchoring Halide Perovskite Surface and Regulating Crystallization Kinetics toward Efficient Light-Emitting Diodes", Small 2023, 19, 2205336.
  • 448. Mengling Zhang, Xing Fan, Xin Du, Yurong Ma, Xiting Wang, Hui Huang, Yang Liu, Youyong Li*, Zhenhui Kang*, "Chiral carbon dots from glucose by room termperature alkali-assisted synthesis for electrocatalytic oxidation of tryptophan enantiomers", Nano Research, 2023, 16, 8929.
  • 447. Tianran Yan, Jie Feng, Hongtai Li, Gang Zhao, Lei Wang, Genlin Liu, Cheng Yuan, Pan Zeng, Tiefeng Liu*, Youyong Li*, Liang Zhang*, "Constructing a built-in electron reservoir to dynamically coordinate bidirectional polysulfides conversion for lithium–sulfur batteries with a wide working temperature range", Energy Storage Materials, 2023, 63, 103061.
  • 446. Yuyan Liu, Yujin Ji*, Yi-min Ding, Youyong Li*, Shuit-Tong Lee, "Theoretical prediction of novel two-dimensional MA2Z4 family for Li/Na Battery Anodes", 2D Mater., 2023, 025020.
  • 445. Yingke Yang, Ruru Song, Xing Fan, Yunxia Liu, Ningning Kong, Haiping Lin*, Youyong Li*, "A mechanisitic study of selective propane dehydrogenations on MoS2 supported single Fe atoms", Chinese Chemical Letters, 2023, 34, 107257.
  • 444. Wenyi Bian, Xueli Shen, Huang Tan, Xing Fan, Yunxia Liu, Haiping Lin*, Youyong Li*, "The triggering of catalysis via structural engineering at atomic level: Direct propane dehydrogenation on Fe-N3P-C", Chinese Chemical Letters, 2023, 34, 107289.
  • 443. Xiaomin Nie, Yujin Ji, Yi-min Ding*, Youyong Li*, "Layer-stacking of chalcogenide-terminated MXenes Ti2CT2 (T=O, S, Se, Te) and their applications in metal-ion batteries.", Nanotechnology, 2023, 34, 105704.
  • 442. Yanxia Ma, Yuyan Liu, Yujin Ji*, Youyong Li*, "Theoretical understanding of two-dimensional boridenes M4/3B2 for hydrogen evolution", Materials Today Energy, 2023, 37, 101373.
  • 441. Hao Zhang, Wenwen Wang, Shaojuan Li, Lu Wang*, Youyong Li*, "Defective structures and oxidation resistance of Janus AsP from first-principles prediction", Chinese Journal of Structural Chemistry, 2023, 42, 100103.
  • 440. Zhibin Jiang, Lujie Jin, Xiying Jian, Jinxia Huang, Hongshuai Wang, Binhong Wu, Kang Wang, Ling Chen, Youyong Li*, Xiang Liu, Weishan Li*, "Manufacturing N,O-carboxymethyl chitosan-reduced graphene oxide under freeze-dying for performance improvement of Li-S battery.", Int. J. Extem. Manuf. 2023, 5, 015502.
  • 439. Wentao Qi, Dong Zhai, Danna Song, Chengcheng Liu, Junxia Yang, Lei Sun, Youyong Li,* Xingwei Li, Weiqiao Deng*, "Optimized synthesis of anti-COVID-19 drugs aided by retrosynthesis software", RSC Med. Chem., 2023, 14, 1254.
  • 438. Shengliang Zhai, Jikai Sun, Lei Sun, Li Yang, Rui Tu, Shuchao Jiang, Tie Yu, Hao Wu, Chengcheng Liu, Zhen Li, Dong Zhai, Youyong Li, Guoqing Ren, and Weiqiao Deng, "Heteronuclear Dual Single-Atom Catalysts for Ambient Conversion of CO2 from Air to Formate", ACS Catalysis, 2023, 13, 6, 3915.
  • 437. Wenshan Xi, Lujie Jin, Asif Mahmood, Weikai Zhang, Youyong Li, Hui Li, Pengfei An, Jing Zhang, Tianyi Ma, Shengzhong (Frank) Liu, Junqing Yan, "Accelerating Ru0/Ru4+ Adjacent Dual Sites Construction by Copper Switch for Efficient Alkaline Hydrogen Evolution", Adv. Energy Mater., 2023, 13, 2302668.
  • 436. Yajie Zhu, Cheng Liu, Shiwen Cui, Zhuorong Lu, Jinyu Ye, Yunzhou Wen, Wenjuan Shi, Xiaoxiong Huang, Liangyao Xue, Juanjuan Bian, Youyong Li, Yifei Xu, Bo Zhang, "Multistep Dissolution of Lamellar Crystals Generates Superthin Amorphous Ni(OH)2 Catalyst for UOR", Adv. Mater. 2023, 35, 2301549.
  • 435. Xuan Huang, Bingyan Xu, Jie Feng, Shengnan Hu, Wenjie Dou, Tang Yang, Changhong Zhan, Shangheng Liu, Yujin Ji, Youyong Li, Chih-Wen Pao, Zhiwei Hu, Qi Shao, and Xiaoqing Huang, "Continuous Phase Regulation of a Pd–Te Hexagonal Nanoplate Library", J. Am. Chem. Soc. 2023, 145, 51, 28010.
  • 434. Fan Liao, Kui Yin, Yujin Ji, Wenxiang Zhu, Zhenglong Fan, Youyong Li, Jun Zhong, Mingwang Shao, Zhenhui Kang, Qi Shao, "Iridium oxide nanoribbons with metastable moniclinic phase for highly efficient electrocatalytic oxygen evolution.", Nat. Commun., 2023, 14:1248.
  • 433. Jiaqi Su, Yujin Ji, Shize Geng, Lamei Li, Da Liu, Hao Yu, Beibei Song, Youyong Li, Chih-Wen Pao, Zhiwei Hu, Xiaoqing Huang, Jianmei Lu, Qi Shao, "Core–Shell Design of Metastable Phase Catalyst Enables Highly-Performance Selective Hydrogenation", Adv. Mater., 2023, 2308839.
  • 432. Shize Geng, Yujin Ji, Shize Yang, Jiaqi Su, Zhiwei Hu, Ting-shan Chan, Hao Yu, Youyong Li, Yi-Ying Chin, Xiaoqing Huang, Qi Shao, "Phosphorus Optimized Metastable Hexagonal-Close-Packed Phase Nickel for Efficient Hydrogen Peroxide Production in Neutral Media", Adv. Funct. Mater., 2023, 33, 2300636.
  • 431. Shize Geng, Yujin Ji, Jiaqi Su, Zhiwei Hu, Miaomiao Fang, Dan Wang, Shangheng Liu, Ling Li, Youyong Li, Jin-Ming Chen, Jyh-Fu Lee, Xiaoqing Huang, Qi Shao, "Homogeneous metastable hexagonal phase iridium enhances hydrogen evolution catalysis." Adv. Sci., 2023, 10, 2206063.
  • 430. Hao Yu, Fan Liao, Wenxiang Zhu, Keyang Qin, Jie Shi, Mengjie Ma, Youyong Li, Miaomiao Fang, Jiaqi Su, Beibei Song, Lamei Li, Rustem R. Zairov, Yujin Ji, Mingwang Shao, Qi Shao, "Two-Dimensional Amorphous Iridium Oxide for Acidic Oxygen Evolution Reaction", ChemCatChem, 2023,15,e202300737
  • 429. Haiwei Yang, Yujin Ji, Qi Shao, Wenxiang Zhu, Miaomiao Fang, Mengjie Ma, Fan Liao, Hui Huang, Yi Zhang, Junjun Yang, Zhenglong Fan, Youyong Li, Yang Liu, Mingwang Shao, Zhenhui Kang, "Metastable-phase platinum oxide for clarifying the Pt-O active site for the hydrogen evolution reaction", Energy Environ. Sci., 2023, 16, 574.
  • 428. Weilin Tu, Mingyu Chu, Xianpeng Wang, Xuchun Wang, Yifan Li, Wenxiu Yang, Muhan Caoa, Lu Wang, Youyong Li, Tsun-Kong Shamc, Yi Cui, Qiao Zhang, Jinxing Chen, "SMSI-induced charge transfer for selective hydrogenolysis of polyolefins", Applied Catalysis B: Environmental ,2023, 339, 12312
  • 427. Mingyu Chu, Xianpeng Wang, Xuchun Wang, Xiangxi Lou, Congyang Zhang, Muhan Cao, Lu Wang , Youyong Li, Sibao Liu, Tsun-Kong Sham, Qiao Zhang, and Jinxing Chen, "Site-selective polyolefin hydrogenolysis on atomic Ru for methanation suppression and liquid fuel production", Research, 2023, 6, Aritcle 0032.
  • 426. Kun Feng, Ruru Song, Jiabin Xu, Yufeng Chen, Cheng Lu, Youyong Li, Werner Hofer, Haiping Lin, Zhenhui Kang, Jun Zhong, "The S-Fe(Ni) sub-surface active sites for efficient and stable overall water splitting", Applied Catalysis B: Environmental, 2023, 325, 122365.
  • 425. Wei Huang, Yongpan Hu, Zhengyuan Qin, Yujin Ji, Xuan Zhao, Yunling Wu, Qing He, Youyong Li, Chunfeng Zhang, Jun Lu, and Yanguang Li, "Highly crystalline and water-wettable benzobisthiazole-based covalent organic frameworks for enhanced photocatalytic hydrogen production", Natl Sci Rev, 2023, Vol. 10, nwac171.
  • 424. Chaochen Shao, Qing He, Mochun Zhang, Lin Jia, Yujin Ji, Yongpan Hu, Youyong Li, Wei Huang, Yanguang Li, "A covalent organic framework inspried by C3N4 for photosynthesis of hydrogen peroxide with high quantum efficiency." Chinese Journal of Catalysis, 2023, 46, 28.
  • 423. Shuo Feng, Mochun Zhang, Yanxia Ma, Xue Ding, Tianran Yan, Yunling Wu, Wei Huang,Liang Zhang, Hualin Ye, Yujin Ji, Youyong Li, and Yanguang Li, "3D 𝝅–d Conjugated Coordination Polymer Enabling Ultralong Life Magnesium-Ion Storage", Adv. Mater. 2023, 35, 2307736.
  • 422. Wenzhen Xu, Yunpeng Shu, Mengmeng Xu, Juan Xie, Youyong Li*, Huilong Dong*, "Unexpected electro-catalytic activity of the CO reduction reaction on Cr-embedded poly-phthalocyanine realized by strain engineering: a computational study", Phys. Chem. Chem. Phys., 2023, 25, 12872.
  • 421. Quan Wang, Yu Liu, Chao Wang, Xingyan Xu, Wei Zhao, Youyong Li, Huilong Dong, "Vat Orange 7 as an organic electrode with ultrafast hydronium-ion storage and super-long life for rechargeable aqueous zinc batteries", Chemical Engineering Journal, 2023, 451, 138776.
  • 420. Juan Xie, Wenzhen Xu, Yunpeng Shu, Mengmeng Xu, Jiayi Xu, Zhenxing Cao, Tao Huang, Youyong Li, Huilong Dong, "Computational insight into electro-catalytic reduction of carbon monoxide by two-dimensional metal embedded poly-phthalocyanine", Cat. Commun., 2023, 174, 106573.
  • 419. Xinhui Li , Shan He , Yanda Jiang , Jian Wang , Yi Yu , Xiaofei Liu , Feng Zhu , Yimei Xie , Youyong Li , Cheng Ma , Zhonghui Shen , Baowen Li , Yang Shen , Xin Zhang, Shujun Zhang, Ce-Wen Nan, "Unraveling bilayer interfacial features and their effects in polar polymer nanocomposites", Nature Communications, 2023, 14:5707.
  • 418. Piao Wang, Changle Zhang, Jiabao Ding, Yujin Ji, Youyong Li, and Weifeng Zhang, "Motivating Inert Strontium Manganate with IridiumDopants as Efficient Electrocatalysts for Oxygen Evolutionin Acidic Electrolyte", Small, 2023, 2305662.
  • 417. Xiaoyong Xia, Jie Feng, Zhaocan Zhong, Xiaoying Yang, Najun Li, Dongyun Chen,Youyong Li, Qingfeng Xu, and Jianmei Lu, "Reconstruction of D-𝚷-A Polymer AcceleratingPhotocatalytic Degradation of BPA and Production of H2O2", Adv. Funct. Mater. 2023, 2311987.
  • 416. Rongfeng Guan, Pan Wang, Yujin Ji, Youyong Li, Yang Song, "Structural stability, dihydrogen bonding, and pressure-induced polymorphic transformations in hydrazine borane", Phys. Chem. Chem. Phys. 2023, 25, 21860.
  • 415. Haixia Li, Youyong Li, Han Jiang, Lingfeng Mao, Yanan Ni, "Characteristic analysis of the MoS2/SiO2 interface field-effect transistor with varying MoS2 layers", Jounal of Materials Science- Materials in electronics", 2023, 34: 427. .
  • 414. Xueqing Chang, Jun-Xing Zhong, Guo Yang, Ying Tan, Li Gong, Xing Ni, Yujin Ji, Youyong Li, Guodong Zhang, Yifan Zheng, Yuchuan Shao, Jie Zhou, Zhibin Yang, Lianzhou Wang, Wu-Qiang Wu, "Targeted passivation and optimized interfacial carrier dynamics improving the efficiency and stability of hole transport layer-free narrow-bandgap perovskite solar cells", Science Bulletin, 2023, 68, 1271.
  • 413. Fangchao Li, Xuliang Zhang, Junwei Shi, Lujie Jin, Jiawei Qiao, Junjun Guo, Hang Yin, Youyong Li, Jianyu Yuan, Wanli Ma, "Solution-Mediated Hybrid FAPbI3 Perovskite Quantum Dots for Over 15% Efficient Solar Cell", Adv. Funct. Mater. 2023,33, 2302542.
  • 412. Shiwen Fang, Jiaxing Huang, Ran Tao, Qi Wei, Xiaobo Ding, Shota Yajima, Zhongxin Chen, Weiya Zhu, Cheng Liu, Yusheng Li, Ni Yin, Leliang Song, Yang Liu, Guozheng Shi, Hao Wu, Yiyuan Gao, Xin Wen, Qi Chen, Qing Shen, Youyong Li, Zeke Liu, Yuan Li, Wanli Ma, "Open-Shell Diradical-Sensitized Electron Transport Layer for High-Performance Colloidal Quantum Dot Solar Cells", Adv. Mater. 2023, 35, 2212184.
  • 411. Junwei Shi, Fangchao Li, Cheng Liu, Xufeng Ling, Xuliang Zhang, Yao Wang, Junjun Guo, Chenyu Zhao, Deng Wang, Youyong Li, Wanli Ma, Jianyu Yuan, Baomin Xu, "Inverted Perovskite Solar Cells with >85% Fill Factor via Sequential Interfacial Engineering", Sol. RRL, 2023, 7, 2300078.
  • 410. Xuliang Zhang, Hehe Huang, Lujie Jin, Chao Wen, Qian Zhao, Chenyu Zhao, Junjun Guo, Chen Cheng, Hongshuai Wang, Liang Zhang, Youyong Li, Yin Maung Maung, Jianyu Yuan, and Wanli Ma, "Ligand-Assisted coupling manipulation for efficient and stable FAPbI3 colloidal quantum dot solar cells", Angew. Chem. Int. Ed. 2023, 62, e202214241.
  • 409. Jianguo Sun, Bin Li, Long Hu, Junjun Guo, Xufeng Ling, Xuliang Zhang, Chi Zhang, Xianxin Wu, Hehe Huang, Chenxu Han, Xinfeng Liu, Youyong Li, Shujuan Huang, Tom Wu, Jianyu Yuan,* and Wanli Ma, "Hybrid block copolymer / perovskite heterointerfaces for efficient solar cells", Adv. Mater., 2023, 35, 2206047.

2022

  • 408. Xing Fan, Siyu Tan, Junjun Yang, Yunxia Liu, Wenyi Bian, Fan Liao*, Haiping Lin*, Youyong Li*, "From Theory to Experiment: Cascading of Thermocatalysis and Electrolysis in Oxygen Evolution Reactions", ACS Ener. Lett., 2022, 7, 343.
  • 407. Siyu Tan, Yujin Ji*, and Youyong Li*, "Single-Atom Electrocatalysis for Hydrogen Evolution Based on the Constant Charge and Constant Potential Models", J. Phys. Chem. Lett. 2022, 13, 30, 7036–7042.
  • 406. Yafeng Xu, Lu Wang*, and Youyong Li*, "Regulating Magnetic Behavior of Fe in Hematene by Defects to Improve Oxygen Evolution Reaction", J. Phys. Chem. Lett. 2022, 13, 33, 7629–7635.
  • 405. Bingyan Xue, Lu Wang*, and Youyong Li*， Cation-Doping in Organic–Inorganic Perovskites to Improve the Structural Stability from Theoretical Prediction, J. Phys. Chem. Lett., 2022, 13, 1180–1186.
  • 404. Yunxia Liu, Xing Fan, Wenyi Bian, Yingke Yang, Peipei Huang, Werner A. Hofer, Hui Huang*, Haiping Lin*, Youyong Li*, Shuit-Tong Lee, "High-loading Fe-1 sites on vanadium disulfides: a scalable and non-defect-stabilized single atom catalyst for electrochemical nitrogen reduction" J. Mater. Chem. A, 2022, 10, 21142.
  • 403. Leigang Li, Cheng Liu, Shangheng Liu, Juan Wang, Jiajia Han, Ting-Shan Chan, Youyong Li*, Zhiwei Hu, Qi Shao, Qiaobao Zhang*, and Xiaoqing Huang*, "Phase Engineering of a Ruthenium Nanostructure toward High-Performance Bifunctional Hydrogen Catalysis", ACS Nano 2022, 16, 9, 14885–14894.
  • 402. Yunzhou Wen, Cheng Liu, Rui Huang, Hui Zhang, Xiaobao Li, F. Pelayo García de Arquer, Zhi Liu, Youyong Li*, Bo Zhang*, "Introducing Brønsted acid sites to accelerate the bridging-oxygen-assisted deprotonation in acidic water oxidation", Nature Communications, 2022, 13, 1-11.
  • 401. Xuan Zhao, Qi Yin, Xinnan Mao, Chen Cheng, Liang Zhang, Lu Wang, Tian-Fu Liu, Youyong Li, Yanguang Li, "Theory-guided design of hydrogen-bonded cobaltoporphyrin frameworks for highly selective electrochemical H2O2 production in acid", Nature Communications 2022, 13, 1-8.
  • 400. Zhenglong Fan, Fan Liao, Yujin Ji, Yang Liu, Hui Huang, Dan Wang, Kui Yin, Haiwei Yang, Mengjie Ma, Wenxiang Zhu, Meng Wang, Zhenhui Kang, Youyong Li, Mingwang Shao, Zhiwei Hu, Qi Shao, "Coupling of nanocrystal hexagonal array and two-dimensional metastable substrate boosts H2-production", Nature Communications, 2022, 13:5828.
  • 399. Yonggang Feng, Yujin Ji, Ying Zhang, Qi Shao, Yong Xu, Youyong Li, Xiaoqing Huang, "Synthesis of noble metal chalcogenides via cation exchange reactions", Nature Synthesis, 2022, 1-9.
  • 398. Miaomiao Fang, Yujin Ji, Shize Geng, Jiaqi Su, Youyong Li, Qi Shao, and Jianmei Lu, "Metastable metal-alloy interface in RuNi nanoplates boosts highly efficient hydrogen electrocatalysis", ACS Appl. Nano Mater., 2022, 5, 12, 17496.
  • 397. Tao Chen, Yujin Ji*, Yi-Min Ding, Youyong Li*, "Tuning low-temperature CO oxidation activities via N-doping on graphene-supported three-coordinated nickle single-atom catalysts", Phys. Chem. Chem. Phys., 2022, 24, 29586.
  • 396. Xing Ni, Yuyan Liu, Yujin Ji*, Chunhua Hu, Youyong Li*, "Theoretical screening of lead-free hybrid organic-inorganic halide double perovskites for solar cells" J. Mater. Chem. C, 2022, 10, 16822.
  • 395. Fangfang Zheng, Yujin Ji*, Huilong Dong, Cheng Liu, Shangqian Chen, and Youyong Li*, “Edge Effect Promotes Graphene-Confining Single-Atom Co-N4 and Rh-N4 for Bifunctional Oxygen Electrocatalysis”, J. Phys. Chem. C., 2022, 126, 1, 30.
  • 394. Fangfang Zheng, Xu Xiao, Juan Xie, Liujiang Zhou*, Youyong Li*, Huilong Dong*, "Structures, properties and applications of two-dimensional metal nitrides: from nitride MXene to other metal nitrides", 2D Materials, 2022, 022001.
  • 393. Ruru Song, Lu Wang*, Youyong Li*, "Improving the electrochemical activity of PdSe2 by constructing P/T structural interfaces", Appl. Surf. Sci., 2022, 597, 153626.
  • 392. Ruru Song, Deyu Li, Yafeng Xu, Junfeng Gao, Lu Wang*, Youyong Li*, "Interface Engineering of Heterogeneous Transition Metal Chalcogenides for Electrocatalytic Hydrogen Evolution", Nanoscale Adv. 2022, 4， 865.
  • 391. Xianpeng Wang, Lu Wang*, Youyong Li*, "Prediction of SiS2 and SiSe2 as promising anode materials for sodium-ion batteries", Phys. Chem. Chem. Phys., 2022, 24, 13189.
  • 390. Jiawen Wang, Yi Yu, Tianle Leng, Youyong Li*, Shuit-Tong Lee*, "The Inhibition of SARS-CoV-2 3CL Mpro by Graphene and Its Derivatives from Molecular Dynamics Simulations", ACS Appl. Mater. & Inter., 2022, 1， 191.
  • 389. Jiawen Wang, Huilong Dong, Tianle Leng, Yi Yu*, Youyong Li*, "Turning the structure of Aß42 peptide by different functionalized carbon nanotubes: a molecular dynamics simulations study", Phys. Chem. Chem. Phys. 2022, 24, 4270.
  • 388. Jiawen Wang, Yingke Yang, Haili Liu, Huilong Dong*, Lifeng Ding, Youyong Li*, Adsorption of metal atoms on two-dimensional BC3 and AlC3 nanosheets: Computational studies, Chem. Phys. Lett., 2022, 792, 139403.
  • 387. Jiawen Wang, Shangqian Chen, Yingke Yang, Yi Yu, Huilong Dong*, Youyong Li*, "Bulk structure of Si2BN predicted by computational approaches", Diamond and Related Materials, 2022, 130, 109530.
  • 386. Shuang-Qiao Sun, Cheng Liu, Min Zhu, Yan-Lin Xu, Wei He, Dan-dan Feng, Chen-Chao Huang, Qi Sun, Yue-Min Xie, Youyong Li*, Man-Keung Fung*, "Electric field induced degradation in sky-blue perovskite light-emitting diodes", Materials Today Energy 2022, 29, 101139.
  • 385. Xiao Wang, Hongshuai Wang, Wenfa Zhou, Tianyang Zhang, Hui Huang, Yinglin Song*, Youyong Li*, Yang Liu*, Zhenhui Kang*. Carbon dots with tunable third-order nonlinear coefficient instructed by machine learning, Journal of photochemistry & Photobiology, A: Chemistry, 2022, 426, 113729.
  • 384. Mengjie Ma, Yi Zhang, Yujin Ji, Qi Shao, Kui Yin, Wenxiang Zhu, Junjun Yang, Fan Liao, Zhenglong Fan, Yang Liu, Youyong Li, Mingwang Shao, Zhenhui Kang, "Diluted silicon promoting Pd/Pt catalysts for oxygen reduction reaction with strong anti-poisoning effect", Appl. Cat. B Env., 2022, 315, 121549.
  • 383. Kai Tu, Jing He, Shuaijie Chen, Cheng Liu, Jiannan Cheng, Enjie He, Youyong Li, Lifen Zhang, Haiming Zhang, Zhenping Cheng, "An alternating conduction-insulation "molecular fence" model from fluorinated metallopolymers", Chem. Commun., 2022, 58, 5383.
  • 382. Shize Geng, Yujin Ji, Binbin Jiang, Wenxiang Zhu, Kui Yin, Mingwang Shao, Fan Liao, Huixian Shi, Yafei Cheng, Youyong Li, and Qi Shao, "Two-Dimensional Confined Synthesis of Metastable 1T-Phase MoS2 Nanosheets for the Hydrogen Evolution Reaction", ACS Appl. Nano Mater., 2022, 5, 1, 1377–1384.
  • 381. Ziqiang Sun, Cheng Liu, Hongchao Yang, Xiaohu Yang, Yejun Zhang, Hongzhen Lin, Youyong Li, Qiangbin Wang, "AgAuSe quantum dots with absolute photoluminescenece quantum yield of 87.2%: The effect of capping ligand chain length", Nano Research, 2022, 15, 8555.
  • 380. Jiaqin He, Fangfang Zheng, Yuanbo Zhou, Xunxun Li, Yaru Wang, Jun Xiao, Youyong Li, Dongyun Chen, Jianmei Lu, "Catalytic oxidation of VOCs over 3D@2D Pd/CoMn2O4 nanosheets supported on hollow Al2O3 microspheres", J. Colloid & Inter. Sci., 2022, 613, 155.
  • 379. Fan Liao, Xing Fan, Huixian Shi, Qing Li, Mengjie Ma, Wenxiang Zhu, Haiping Lin, Youyong Li, Mingwang Shao, "Boosting electrocatalytic selectivity in carbon dioxide reduction: The fundamental role of dispersing gold nanoparticles on silicon nanowires", Chin. Chem. Lett., 2022, 33, 4380.
  • 378. Mengling Zhang, Wanru Zhang, Xing Fan, Yurong Ma, Hui Huang, Xiting Wang, Yang Liu, Haiping Lin, Youyong Li, He Tian, Mingwang Shao, and Zhenhui Kang, "Chiral Carbon Dots Derived from Serine with Well-Defined Structure and Enantioselective Catalytic Activity", Nano Lett. 2022, 22, 17, 7203–7211.
  • 377. Tianran Yan, Jie Feng, Pan Zeng ,Gang Zhao, Lei Wang, Cheng Yuan, Chen Cheng, Youyong Li, Liang Zhang, "Modulating eg orbitals through ligand engineering to boost the electrocatalytic activity of NiSe for advanced lithium-sulfur batteries", J. Ener. Chem., 2022, 74, 317.
  • 376. Luying Song, Biao Yang, Xing Fan, Yahui Mao, Huan Shan, Junbo Wang, Kaifeng Niu, Zhengming Hao, Zhiwen Zeng, Youyong Li, Aidi Zhao, Haiping Lin, Lifeng Chi, and Qing Li, "Intra- and Inter-Self-Assembly of Identical Supramolecules on Silver Surfaces", J. Phys. Chem. Lett. 2022, 13, 38, 8902–8907.
  • 375. Miaomiao Fang, Yujin Ji, Yecan Pi, Pengtang Wang, Zhiwei Hu, Jyh-Fu Lee, Huan Pang, Youyong Li, Qi Shao, Xiaoqing Huang, "Aluminum-doped mesoporous copper oxide nanofibers enabling high-efficiency CO2 electroreduction to multicarbon products" Chem. Mater. 2022, 34, 9023.
  • 374. Wenwen Wang, Hao Zhao, Hong Liu, Lu Wang, Youyong Li, "Mechanical Fracture of Bilayer MoS2 with Grain Boundaries", J. Phys. Chem. C, 2022, 126, 17692.
  • 373. Yingke Yang, Jiawen Wang, Haiping Lin, Huilong Dong*, Youyong Li*, "On-purpose design of dual active sties in single V atom anchored C2N nanosheets for propane dehydrogenation catalysis", Inorganic Chemistry Frontiers, 2022, 9, 5517.
  • 372. Yingke Yang, Jiawen Wang, Yunpeng Shu, Yujin Ji, Huilong Dong, Youyong Li, "Significance of density functional theory (DFT) calculations for electrocatalysis of N-2 and CO2 reduction reactions", Phys. Chem. Chem. Phys., 2022, 24. 8591.

2021

  • 371. Junqing Yan*, Yujin Ji, Munkhbayar Batmunkh, Pengfei An, Jing Zhang, Yang Fu, Baohua Jia, Youyong Li*, Shengzhong Liu*, Jinhua Ye, Tianyi Ma*, "Breaking platinum nanoparticles to single-atomic Pt-C4 co-catalysts for enhanced solar-to-hydrogen conversion", Angew. Chem. Int. Ed. 2021, 60, 2541.
  • 370. Xiao Wang, Bo Wang, Hongshuai Wang, Tianyang Zhang, Huihui Qi, Zhenyu Wu, Yurong Ma, Hui Huang, Mingwang Shao, Yang Liu*, Youyong Li*, Zhenhui Kang*, "Carbon-dot-based white-light-emitting diodes with adjustable correlated color temperature guided by machine learning", Angew. Chem. Int. Ed. 2021, 60, 12585.
  • 369. Qian Dang, Haiping Lin, Zhenglong Fan, Lu Ma, Qi Shao*, Yujin Ji, Fangfang Zheng, Shize Geng, Shi-Ze Yang*, Ningning Kong, Wenxiang Zhu, Youyong Li*, Fan Liao, Xiaoqing Huang*, Mingwang Shao*, "Iridium metallene oxide for acidic oxygen evolution catalysis", Nat. Commun. 2021, 12, 6007.
  • 368. Zhenglong Fan, Yujin Ji, Qi Shao, Shize Geng, Wenxiang Zhu, Yang Liu, Fan Liao, Zhiwei Hu, Yu-Chung Chang, Chih-Wen Pao, Youyong Li, Zhenhui Kang, Mingwang Shao, "Extraordinary acidic oxygen evolution on new phase 3R-iridium oxide", Joule, 2021, 5, 1-14.
  • 367. Jiabao Ding, Yujin Ji, Youyong Li*, Guo Hong*, "Monoatomic platinum-embedded hexaponal close-packed nickel anisotropic superstructures as highly efficient hydrogen evolution catalyst", Nano Lett. 2021, 21, 9381.
  • 366. Deyu Li, Ruru Song, Haiping Lin, Lu Wang*, Youyong Li*, "Pyridinic-N doped porous graphene supported on metal substrates as the promising electrocatalyst for oxygen reduction reaction", Energy & Fuels, 2021, 35, 19634.
  • 365. Xianpeng Wang, Hao Zhao, Hao Zhang, Lu Wang*, Youyong Li*, "Screening for the stable ternary-metal MXenes as the promising anode materials for sodium/potassium ion batteries", J. Phys. Chem. C. 2021, 125, 26332.
  • 364. Jiabei Yuan, Nopporn Rujisamphan, Wanli Ma, Jianyu Yuan*, Youyong Li*, Shuit-Tong Lee, "Perspective on the perovskite quantum dots for flexible photovoltaics", Journal of Energy Chemistry, 2021, 62, 55.
  • 363. Xiangrong Ren, Yujin Ji, Yiyue Zhai, Ningyi Yuan, Jianning Ding, Youyong Li*, Junqing Yan*, Shenzong Frank Liu*, "Self-assembled CoOOH on TiO2 for enhanced photoelectrochemical water oxidation", Journal of Energy Chemistry, 2021, 60, 512.
  • 362. Xinnan Mao, Lu Wang*, Yafeng Xu, Pengju Wang, Youyong Li*, Jijun Zhao*, "Computational High-throughput Screening of Alloy Nanoclusters for Electrocatalytic Hydrogen Evolution", npj Computational Materials, 2021, 7, 46.
  • 361. Yuyan Liu, Yujin Ji*, Youyong Li*, "Multilevel theoretical screening of novel two-dimensional MA2Z4 family for hydrogen evolution", J. Phys. Chem. Lett. 2021, 12, 9149.
  • 360. Xiaomin Nie, Yi-min Ding*, Huilong Dong, Youyong Li*, "Predicting new MXene-like two-dimensional materials Pb2CO2 and Sn2CO2 as potential hydrogen evolution reaction catalysts" J. Phys. Chem. C, 2021,125, 22562.
  • 359. Lujie Jin, Yujin Ji*, Hongshuai Wang, Lifeng Ding, Youyong Li*, "First-principles materials simulation and design for alkali and alkaline metal ion batteries accelerated by machine learning", Phys. Chem. Chem. Phys., 2021, 23, 21470.
  • 358. Jie Feng, Hongshuai, Wang, Yujin Ji,* Youyong Li*, "Molecular design and performance improvement in organic solar cells guided by high-throughput screening and machine learning", Nano Select, 2021, 2, 1629.
  • 357. Huilong Dong*, Cai Ning, Gang Yang, Hongmei Ji, Youyong Li*, "Single-side functionalized graphene as promising cathode catalysts in nonaqueous lithium-oxygen batteries", Nanoscale, 2021, 13, 12727.
  • 356. Xiaohui Yu, Juan Xie, Qinqin Liu, Huilong Dong*, Youyong Li*, "The origin of enhanced photocatalytic activity in g-C3N4/TiO2 heterostructure revealed by DFT calculations", Journal of Colloid and Interface Science, 2021, 593, 133–141.
  • 355. Chenqi Shen, Yujin Ji, Pengtang Wang, Shuxing Bai, Man Wang, Youyong Li*, Xiaoqing Huang*, Qi Shao*, "Interface confinement in metal nanosheet for high-efficiencey semi-hydrogenation of alkynes", ACS Cat. 2021, 11, 5231.
  • 354. Yi-min Ding, Xiaomin Nie, Huilong Dong, Nopporn Rujisamphan, Youyong Li*, "Predicting a new Graphene derivative C3H as potential photocatalyst for watersplitting and CO2 reduction", Physica E: Low-dimensional Systems and Nanostructures, 2021, 127, 114562.
  • 353. Yi-min Ding, Xiaomin Nie, Youyong Li*, " Exciton-driven linear and nonlinear optical responses in metal monoxide monolayers MO (M=Mg,Ca,Cd) from first-principles calculations", Physical Review Materials, 2021, 5, 074005.
  • 352. Shangqian Chen, Fangfang Zheng, Jie Feng, Huilong Dong*, Youyong Li*, "Theoretical study on single-side fluorinated graphene for lithium storage", Applied Surface Science, 2021, 560, 150033.
  • 351. Yafeng Xu, Hao Zhang, Xinnan Mao, Lifeng Ding, Lu Wang*, Youyong Li*, "Defect stability and intriguing magnetic properties in Janus chromium trihalides monolayer", Applied Surface Science, 2021, 569, 150995.
  • 350. Mengjun Wang, Xu Dong, Zhaodong Meng, Zhiwei Hu, Yan-Gu Lin, Chun-Kuo Peng, Hongshuai Wang, Chih-Wen Pao, Songyuan Ding, Youyong Li, Qi Shao, Xiaoqing Huang, Angew. Chem. Int. Ed. 2021, 60, 11190-11195.
  • 349. Kailei Cao, Yujin Ji, Shuxing Bai, Xiaoqing Huang, Youyong Li, Qi Shao, "A wide range of Co: H2 syngas ratios enabled by a tellurization-induced amorphous telluride-palladium surface", J. Mater. Chem. A, 2021, 9, 18349.
  • 348. Ling Li, Yujin Ji, Xiaoling Luo, Shize Geng, Miaomiao Fang, Yecan Pi, Youyong Li, Xiaoqing Huang, Qi Shao, "Compressive strain in N-doped palladium/amorphous Cobalt II interface facilitates alkaline hydrogen evolution", Small, 2021, 17, 2103798.
  • 347. Haipeng Bai, Tao Cheng, Shangyu Li, Zhenyu Zhou, Hao Yang, Jun Li, Miao Xie, Jinyu Ye, Yujin Ji, Youyong Li, Zhiyou Zhou, Shigang Sun, Bo Zhang, Huisheng Peng, "Controllable CO adsorption determines ethylene and methane productions from CO2 electroreduction", Science Bulletin, 2021, 66, 62-68.
  • 346. Bo Zhang, Liping Wang, Yajie Zhu, Yunzhou Wen, Shangyu Li, Chunyu Cui, Fenglou Ni, Yunxia Liu, Haiping Lin, Youyong Li, Huisheng Peng, "Regulating the local charge distribution of Ni active sites for urea oxidation reaction", Angew. Chem. Int. Ed. 2021, 60, 10577.
  • 345. Yunzhou Wen, Peining Chen, Lu Wang, Shangyu Li, Ziyun Wang, Jehad Abed, Xinnan Mao, Yimeng Min, Cao Thang Dinh, Phil De Luna, Rui Huang, Longsheng Zhang, Lie Wang, Liping Wang, Robert J. Nielsen, Huihui Li, Taotao Zhuang, Changchun Ke, Oleksandr Voznyy, Yongfeng Hu, Youyong Li, William A Goddard III, Bo Zhang, Huisheng Peng, Edward H. Sargent, "Stabilizing highly-active Ru sites by suppressing lattice oxygen participation in acidic water oxidation", J. Am. Chem. Soc., 2021, 143, 17, 6482.
  • 344. Yumei Yang, Yujin Ji, Guangyu Li, Youyong Li, Baohua Jia, Junqing Yan, Tianyi Ma, Shengzhong Liu, "IrOx@In2O3 heterojunction made of individually crystallized oxides for weak-light promoted electrocatalytic water oxidation", Angew. Chem. Int. Ed., 2021, 60, 26790.
  • 343. Meng Liu, Yujin Ji, Youyong Li, Pengfei An, Jing Zhang, Junqing Yan, Shengzhong Liu, "Single-atom doping and high-valence state for synergistic enhancement of NiO electrocatalytic water oxidation", Small, 2021, 17, 2102448.
  • 342. Junbo Wang, Yuanjing Zheng, Xiaomin Nie, Chaojie Xu, Zhengming Hao, Luying Song, Sifan You, Jiahao Xi, Minghu Pan, Haiping Lin, Youyong Li, Haiming Zhang, Qing Li, Lifeng Chi, "Constructing and transferring two-dimensional tessellation kagome lattices via chemical reactions on Cu(111) surface", J. Phys. Chem. Lett. 2021, 12, 8151.
  • 341. Kaifeng Niu, Xing Ni, Hongshuai Wang, Youyong Li, Krisztian Palotas, Haiping Lin, Lifeng Chi, "On-surface synthesis of 2D COFs via molecular assembly directed photocycloadditions: a first-principles investigation", J. Phys.: Condens. Matter, 2021, 33, 475201.
  • 340. Yiming Xie, Bo Zhao, Kai Tang, Wei Qin, Changhui Tan, Junjie Yao, Youyong Li, Lin Jiang, Xianfu Wang, Yinghui Sun, "In-situ phase transition induced nanoheterostructure for overall water splitting", Chemical Engineering Journal, 2021, 409, 128156.
  • 339. Yunling Wu, Xinnan Mao, Mochun Zhang, Xuan Zhao, Renjie Xue, Sijia Di, Wei Huang, Lu Wang, Youyong Li, Yanguang Li, "2D molecular sheets of hydrogen-bonded organic frameworks for ultrastable sodium-ion storage", Adv. Mater. 2021, 2106079.
  • 338. Huicheng Hu, Wenhao Guan, Yafeng Xu, Xuchun Wang, Linzhong Wu, Min Chen, Qixuan Zhong, Yong Xu, Youyong Li, Tsun-Kong Sham, Xiaohong Zhang, Lu Wang, Muhan Cao, Qiao Zhang, "Construction of single-atom platinum catalysts enabled by CsPbBr3 nanocrystals" ACS Nano 2021, 15, 13129.
  • 337. Yong Xu, Xuchun Wang, Di Yang, Zeyuan Tang, Muhan Cao, Huicheng Hu, Linzhong Wu, Lijia Liu, John Mcleod, Haiping Lin, Youyong Li, Yeshavahu Lifshitz, Tsun-Kong Sham, Qiao Zhang, "Stabilizing oxygen vacancies in ZrO2 by Ga2O3 boosts the direct dehydrogenation of light alkances", ACS Catal. 2021, 11, 10159.
  • 336. Haobo Li, Yunxia Liu, Ke Chen, Johannes T. Margraf, Youyong Li, Karsten Reuter, "Subgroup discovery points to the prominent role of charge transfer in breaking nitrogen scaling relations at single-atom catalysts on VS2", ACS Cat. 2021, 11, 7906.
  • 335. Rui Ji, Jiadi Liu, Tingyu Zhang, Yang Peng, Youyong Li, Dongyun Chen, Qingfeng Xu, Jianmei Lu, "Construction of a ternary Z-scheme In2S3@Au@P3HT photocatalyst for the degradation of phenoloic pollutants under visible light" Separation and Purification Technology, 2021, 272, 118787.
  • 334. Feng Zhou, Peiyang Gu, Zhipu Luo, Hari Krishna Bisoyi, Yujin Ji, Youyong Li, Qingfeng Xu, Quan Li, Jianmei Lu, "Unexpected organic hydrate luminogens in the solid state", Nat. Commun., 2021, 12, 2339.
  • 333. Xufeng Ling, Hongwei Zhu, Weidong Xu, Cheng Liu, Linfeng Pan, Dan Ren, Jianyu Yuan, Bryon W. Larson, Carole Gratzel, Ahmad R. Kirmani, Olivier Ouellette, Anurag Krishna, Jianguo Sun, Chunyang Zhang, Youyong Li, Shaik M. Zakeeruddin, Jing Gao, Yuhang Liu, James R. Durrant, Joseph M. Luther, Wanli Ma, Michael Gratzel, "Combined precursor engineering and grain anchoring leading to MA-free, phase-pure and stable a-formaidinium lead iodide perovskites for efficient solar cells", Angew. Chem. Int. Ed. 2021, 60, 27299.
  • 332. Thidarat Supasai, Kay Thi Soe, Thapanut Smerchit, Farhad Azad, Non Thongprong, Navaphun Kayunkid, I-Ming Tang, Pisist Kumnorkaew, Anusit Kaewprajak, Viboon Tangwarodomnukun, Youyong Li, Sootorn Chayawadee, Jianyu Yuan, Nopporn Rujisamphan, "Unveiling the influence of the spectral irradiance of indoor light-emitting diodes on the photovoltaics of a methylammonium lead iodide-based device", Adv. Energy Sustainability Res. 2021, 2100143.
  • 331. Unyamanee Rosungnern, Pisist Kumnorkaew, Navaphun Kayunkid, Narong Chanlek, Youyong Li, I-Ming Tang, Non Thongprong, Nopporn Rujisamphan, and Thidarat Supasai, "Impact of a Spun-Cast MoOx Layer on the Enhanced Moisture Stability and Performance-Limiting Behaviors of Perovskite Solar Cells", ACS Appl. Energy Mater. 2021, 4, 3169.
  • 330. Yangyang Han, Junbo Wang, Luying Song, Yuanjing Zheng, Youyong Li, Haiping Lin, Qing Li, and Lifeng Chi , "A Fundamental Role of the Molecular Length in Forming Metal–Organic Hybrids of Phenol Derivatives on Silver Surfaces", J. Phys. Chem. Lett. 2021, 12, 7, 1869.

2020

  • 329. Ningning Kong, Xing Fan, Fangfang Liu, Lu Wang, Haiping Lin,* Youyong Li,* and Shuit-Tong Lee, "Single Vanadium Atoms Anchored on Graphitic Carbon Nitride as a High-Performance Catalyst for Non-Oxidative Propane Dehydrogenation", ACS Nano, 2020, 14, 5772-5779.
  • 328. Fangfang Liu, Luying Song, Yunxia Liu, Fangfang Zheng, Lu Wang, Krisztian Palotas, Haiping Lin*, Youyong Li*, "Using the N N dipole as a theoretical indicator for estimating the electrocatalytic performance of active sites in the nitrogen reduction reaction: single transition metal atoms embedded in two dimensional phthalocyanine", J. Mater. Chem. A, 2020, 8, 3598.
  • 327. Yujin Ji*, Yifan Li, Huilong Dong, Lifeng Ding, Youyong Li*, "Ruthenium Single-Atom Catalysis for electrocatalytic nitrogen reduction unveiled by grand canonical density functional theory", J. Mater. Chem. A, 2020, 8, 20402.
  • 326. Xinyue Tan, Shize Geng, Yujin Ji, Qi Shao*, Ting Zhu, Pengtang Wang, Youyong Li*, Xiaoqing Huang*, "Closest packing polymorphism interfaced metastable transition metal for efficient hydrogen evolution", Adv. Mater., 2020, 2002857.
  • 325. Nan Zhang, Fangfang Zheng, Bolong Huang, Yujin Ji, Qi Shao, Youyong Li, Xiangheng Xiao, Xiaoqing Huang, "Exploring Bi2Te3 nanoplates as versatile catalysts for electrochemical reduction of small molecules", Adv. Mater. 2020, 32, 1906477.
  • 324. Juan Wang, Bolong Huang, Yujin Ji, Mingzi Sun, Tong Wu, Rongguan Yin, Xing Zhu, Youyong Li, Qi Shao, Xiaoqing Huang, "A General Strategy to Glassy M-Te (M = Ru, Rh, Ir) Porous Nanorods for Efficient Electrochemical N2 Fixation.", Adv. Mater. 2020, 32, 1907112.
  • 323. Xiaoling Luo, Cheng Liu, Xiaolei Wang, Qi Shao*, Yecan Pi, Ting Zhu, Youyong Li*, Xiaoqing Huang*, "Spin Regulation on 2D Pd–Fe–Pt Nanomeshes Promotes Fuel Electrooxidations", Nano Lett. 2020, 20, 3, 1967-1973.
  • 322. Junqing Yan, Jing Liu, Yujin Ji, Munkhbayar Batmunkh, Dan Li, Xiaoshuang Liu, Xingzhong Cao, Youyong Li*, Shengzhong Liu*, Tianyi Ma*, "Surface engineering to reduce the interfacial resistance for enhanced photocatalytic water oxidation", ACS Catalysis, 2020, 10, 8742-8750.
  • 321. Xinnan Mao, Lu Wang*, Yafeng Xu, Youyong Li*, "Modulating the MoS2 Edge Structures by Doping Transition Metals for Electrocatalytic CO2 Reduction", J. Phys. Chem. C., 2020, 124, 19, 10523.
  • 320. Yi-min Ding, Xiaomin Nie, Huilong Dong, Nopporn Rujisamphan, Youyong Li*, "Many-bondy effects in MXene Ti2CO2 monolayer modified by tensile strain: GW-BSE calculations", Nanoscale Adv., 2020, 2, 2471-2477.
  • 319. Yi-min Ding, Xiaomin Nie, Huilong Dong, Nopporn Rujisamphan, Youyong Li*, "Size-dependent electronic, optical and photocatalytic properties of Ti3C2O2 quantum dots studied by first-principles calculations", Physica E: Low-dimensional Systems and Nanostructures, 2020, 124, 114328.
  • 318. Yi-min Ding, Huilong Dong*, Hongxia Zhong, Juan Xie, Nopporn Rujisamphan, Youyong Li*, "Structures and optoelectronic properties of two-dimensional MC6 (M=Ti and Hf) predicted by computational approaches", Mateirals Today Communications, 2020, 101606.
  • 317. Juan Xie, Huilong Dong, Xiaohua Cao, Youyong Li, "Computational insights into nitrogen reduction reaction catalyzed by transition metal doped graphene: Comparative investigations", Materials Chemistry and Physics, 2020, 243, 122622.
  • 316. Min Luo, Yi Yu, Zhong Jin, Huilong Dong*, Youyong Li*, "Multi-scale simulations on biocompatibility of boron nitride nanomaterials with different curvatures: A comparative study", Applied Surface Science, 2020, 517, 146181.
  • 315. Yuqiang Liu, Lei Cai, Yafeng Xu, Junnan Li, Yuanshuai Qin, Tao Song, Lu Wang, Youyong Li, Luis K. Ono, Yabing Qi, Baoquan Sun, "In-situ passivation perovskite targeting efficient light-emitting diodes via spontaneously formed silica network", Nano Energy, 2020, 78, 105134.
  • 314. Jie Feng, Hongshuai Wang, Nopporn Rujisamphan, Youyong Li*, "Theoretical design of Dithienopicenocarbazole based molecules by molecular engineering of terminal units towards promising non-fullerene acceptors", Frontiers in Chemistry, 2020, 8, 580252.
  • 313. Lei Cai, Fei Yang, Yafeng Xu, Jianzhong Fan, Ya Li, Yue Zhao, Dong Liang, Yatao Zou, Pandeng Li, Lu Wang, Chuankui Wang, Youyong Li, Jian Fan, Baoquan Sun, "Dual functionalization of electron transport layer via tailoring molecular structure for high-performance perovskite light-emitting diodes", ACS Appl. Mater. Interfaces, 2020, 12, 37346-37353.
  • 312. Junwei Shi, Fangchao Li, Yan Jin, Cheng Liu, Ben Cohen-Kleinstein, Shuai Yuan, Youyong Li, Zhao-kui Wang, Jianyu Yuan, Wanli Ma, "In-situ ligand bonding management of CsPbI3 perovskite quantum dots enablies high-performance photovoltaics and red light-emitting diodes", Angew. Chem. Inter. ed., 2020, 59, 22230.
  • 311. Yao Wang, Chenghao Duan, Xuliang Zhang, Nopporn Rujisamphan, Yang Liu, Youyong Li, Jianyu Yuan, Wanli Ma, "Dual interfacial engineering enables efficient and reproducible CsPbI2Br all-inorganic perovskite solar cells", ACS Applied Materials & Interfaces, 2020, 12, 31659-31666.
  • 310. Qilin Zhang, Xin Yuan, Yifeng Feng, Bryon W. Larson, Gregory M. Su, Yin Maung Maung, Nopporn Rujisamphan, Youyong Li, Jianyu Yuan, Wanli Ma, "Understanding the Interplay of Transport-Morphology-Performance in PBDB-T-Based Polymer Solar Cells", Solar RRL, 2020, 1900524.
  • 309. Non Thongprong, Thidarat Supasai, Youyong Li, I-Ming Tang, Nopporn Rujisamphan, "Insights into Recombination Processes from Light Intensity-Dependent Open-Circuit Voltages and Ideality Factors in Planar Perovskite Solar Cells", Energy Technology, 2020, 1901196.
  • 308. Xin Zhang, Xing Fan, Gangqiang Zhu, Yitao Wang, Haoxuan Ding, Haiping Lin, Youyong Li, Qing Li, Jianzhi Gao, Minghu Pan, Quanmin Guo, "Two-dimensional van der Waals supramolecular frameworks from Co-hosted molecular assembly and C60 dimerization", J. Phys. Chem. C, 2020, 124, 23, 12589.
  • 307. Binbin Jiang, Xing Fan, Qian Dang, Fan Liao, Youyong Li, Haiping Lin, Zhenhui Kang, Mingwang Shao, "Functionalization of metal oxides with thiocyanate groups: A general strategy for boosting oxygen evolution reaction in neutral media" Nano Energy, 2020, 76, 105079.
  • 306. Xiaohui Yu, Juan Xie, Huilong Dong*, Qinqin Liu, Youyong Li*, "Effects of oxygen defects on electronic band structures and dopant migration in Sn-doped TiO2 by density functional studies", Chem. Phys. Lett., 2020, 754, 137732..
  • 305. Tingfeng Liu, Zhong Jin, Dong-xin Liu, Chunmiao Du, Lu Wang, Haiping Lin*, Youyong Li*, "A density functional theory study of high-performance pre-lithiated MS2 (M=Mo, W, V) monolayers as the anode material of lithium ion batteries", Sci. Report., 2020, 10, 6897.
  • 304. Yuting Nie, Stepan Kashtanov, Huilong Dong, Youyong Li, Yanyun Ma, Xuhui Sun, "Stable silicene wrapped by graphene in air", ACS appl. Mater. Interfaces, 2020, 12, 36, 40620.
  • 303. Xin Liu, Yunxuan Zhao, Xiaofei Yang, Qinqin Liu, Xiaohui Yu, Youyong Li, Hua Tang, Tierui Zhang, "Porous Ni5P4 as a promising cocatalyst for boosting the photocatalytic hydrogen evolution reaction performance", Applied Catalysis B: Environmental, 2020, 275, 119144.
  • 302. Qikui Fan, Hao Yang, Juan Ge, Shumeng Zhang, Zhaojun Liu, Bo Lei, Tao Cheng, Youyong Li, Yadong Yin, and Chuanbo Gao, "Customizable Ligand Exchange for Tailored Surface Property of Noble Metal Nanocrystals", Research, 2020, 2131806.
  • 301. Pengtang Wang, Yujin Ji, Qi Shao, Youyong Li, Xiaoqing Huang, "Core@shell structured Au@SnO2 nanoparticles with improved N-2 adsorption/activation and electrical conductivity for efficient N-2 fixation", Science Bulletin, 2020, 65, 350.
  • 300. Feng Kun, Duo Zhang, Fangfang Liu, Hui Li, Jiabin Xu, Yujian Xia, Youyong Li, Haiping Lin, Shuao Wang, Mingwang Shao, Zhenhui Kang, Jun Zhong, "Highly efficient oxygen evolution by a thermocatalytic process cascaded electrocatalysis over sulfur-treated Fe-based metal-organic-frameworks", Adv. Ener. Mater., 2020, 10, 2000184.
  • 299. Chao Zhuang, Xue, Xing Fan, Jiaxu Zhang, Dandan Hu, Xiao-Li Wang, Xiang Wang, Rui Zhou, Haiping Lin, Youyong Li, Dong-sheng Li, Xiao Wei, Daoyuan Zheng, Yang Yang, Keli Han, Tao Wu, "Diect observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters" Chemcial Science, 2020, 11, 4085-4096.
  • 298. Yong Xu, Mingyu Chu, Fangfang Liu, Xuchun Wang, Yu Liu, Muhan Cao, Jin Gong, Jun Luo, Haiping Lin, Youyong Li, Qiao Zhang, "Revealing the correlation between catalytic selectivity and the local coordination environment of Pt single atom", Nano Lett. 2020, 20, 9, 6865.
  • 297. Yuanzhe Liang, Yuzhang Zhu, Cheng Liu, Kueir-Rarn Lee, Wei-Song Hung, Zhengyi Wang, Youyong Li, Menachem Elimelech, Jian Jin, and Shihong Lin, "Polyamide Nanofiltration Membrane with Highly Uniform Sub-nanometre Pores for Sub-1Å Precision Separation", Nat. Commun. 2020, 11, 2015.
  • 296. Yongpan Hu, Wei Huang, Hongshuai Wang, Qing He, Yuan Zhou, Ping Yang, Youyong Li, Yanguang Li, "Metal-free photocatalytic hydrogenation using covalent triazine polymers", Angew. Chem. Int. Ed., 2020, 59, 14378.
  • 295. Xiaoxiao Cheng, Tengfei Miao, Lu Yin, Yujin Ji, Youyong Li, Zhengbiao Zhang, Wei Zhang, Xiulin Zhu, "In Situ Controlled Construction of Hierarchical Supramolecular Chiral Liquid-Crystalline Polymer Assembly." Angew. Chem. Int. Ed., 2020, 59, 9669.
  • 294. Bo Zhang, Lie Wang, Zhen Cao, Sergey M. Kozlov, F. Pelayo García de Arquer, Cao Thang Dinh, Jun Li, Ziyun Wang, Xueli Zheng, Longsheng Zhang, Yunzhou Wen, Oleksandr Voznyy, Riccardo Comin, Phil De Luna, Tom Regier, Wenli Bi, E. Ercan Alp, Chih-Wen Pao, Lirong Zheng, Yongfeng Hu, Yujin Ji, Max García-Melchor, Youyong Li, Luigi Cavallo, Huisheng Peng and Edward H. Sargent, "High-valence metals improve OER performance by modulating 3d metal oxidation cycle energetics", 2020, Nature Catalysis, 3, 985.

2019

  • 293. Hongshuai Wang, Yujin Ji, Youyong Li*, "Simulation and design of energy materials accelerated by machine learning", WIREs Comput. Mol. Sci., 2019, DOI: 10.1002/wcms.1421. https://rdcu.be/bGQ8Q
  • 292. Junqing Yan, Lingqiao Kong, Yujin Ji, Jai White, Youyong Li*, Jing Zhang, Pengfei An, Shengzhong Liu*, Shuit-Tong Lee, Tianyi Ma*, "Single atom tungsten doped ultrathin α-Ni(OH)2 for enhanced electrocatalytic water oxidation ", Nature Communications, 2019, 10:2149. https://rdcu.be/bBJ6y highlighted by Nat. Commun. editor
  • 291. Longsheng Zhang, Liping Wang, Haiping Lin, Yunxia Liu, Jinyu Ye, Yunzhou Wen, Ao Chen, Lie Wang, Fenglou Ni, Zhiyou Zhou, Shigang Sun, Youyong Li*, Bo Zhang*, Huisheng Peng*, "A lattice-oxygen-involved reaction pathway to boost urea oxidation", Angew. Chem. Int. Ed., 2019, 58, 47, 16820-16825.
  • 290. Na Han, Pan Ding, Le He, Youyong Li*, Yanguang Li*, "Promises of main group metal-based nanostructured materials for electrochemical CO2 reduction to formate", Adv. Ener. Mater., 2019, 10, 1902338.
  • 289. Huilong Dong, Yujin Ji, Lifeng Ding, Youyong Li*, "Strategies for Computational Design and Discovery of Two-dimensional Transition-Metal-Free Materials for Electro-catalysis Applications", Phys. Chem. Chem. Phys., 2019, 2019, 21, 25535 - 25547.
  • 288. Junqing Yan, Lingqiao Kong, Yujin Ji, Youyong Li*, Jai White, Shengzhong Liu*, Xiaopeng Han, Shuit-Tong Lee, Tianyi Ma*, "Air-stable phosphorous-doped molybdenum nitride for enhanced electrocatalytic hydrogen evolution", Commun. Chem., 2018, 1, 95.
  • 287. Huan Wu, Lingqiao Kong, Yujin Ji, Junqing Yan*, Yimin Ding, Youyong Li*, Shuit-Tong Lee, and Shengzhong Liu*, "Double-site Ni-W nanosheet for best alkaline HER performance at high current density > 500 mAcm-2", Adv. Mater. Interfaces, 2019, 1900308.
  • 286. Chongyang Tang, Nan Zhang, Yujin Ji, Qi Shao, Youyong Li*, Xiangheng Xiao, Xiaoqing Huang*, "Fully tensile strained Pd3Pb/Pd tetragonal nanosheets enhance oxygen reduction catalysis", Nano. Lett. 2019, 19, 2, 1336-1342.
  • 285. Ting Zhu, Cheng Liu, Xinyue Tan, Bin Huang, Guo-Qing Bian, Qi Shao*, Shuxing Bai, Yong Qian, Youyong Li*, Xiaoqing Huang*, "Se-Incorporating Stabilizes and Activates Metastable 1T-Phase MoS2 for Efficient and Cost-Effective Water Gas Shift Reaction", ACS Nano, 2019, 13, 10, 11303-11309.
  • 284. Yujin Ji, Huilong Dong, Cheng Liu, Youyong Li*,"Two-Dimensional p-Conjugated Metal-Organic Nanosheets as Single-Atom Catalysts for Hydrogen Evolution Reaction ", Nanoscale, 2019, 11, 454-458. .
  • 282. Juan Wang, Yujin Ji, Qi Shao, Rongguan Yin, Jun Guo, Youyong Li,* Xiaoqing Huang,*"Phase and Structure Modulating of Bimetallic CuSn Nanowires Boosts Electrocatalytic Conversion of CO2", Nano Energy, 2019, 59, 138-145.
  • 282. Juan Wang, Yujin Ji, Rongguan Yin, Youyong Li*, Qi Shao, Xiaoqing Huang,*"Transition Metal-Doped Ultrathin RuO2 Networked Nanowires for Efficient Overall Water Splitting in Broad pH Range ", J. Mater. Chem. A, 2019, 7, 11, 6411-6416.
  • 281. Lie Wang, Yunzhou Wen, Yujin Ji, Hanjie Cao, Shangyu Li, Sisi He, Haipeng Bai, Gejun Liu, Longsheng Zhang, Hongliang Bao, Jianqiang Wang, Youyong Li*, Bo Zhang* and Huisheng Peng*, "The 3d–5d orbital repulsion of transition metals in oxyhydroxide catalysts facilitates water oxidation", J. Mater. Chem. A, 2019, 7, 14455-14461.
  • 280. Gejun Liu, Haipeng Bai, Yujin Ji, Lie Wang, Yunzhou Wen, Haiping Lin, Lirong Zheng, Youyong Li, Bo Zhang and Huisheng Peng, "A highly efficient alkaline HER Co–Mo bimetallic carbide catalyst with an optimized Mo d-orbital electronic state" , J. Mater. Chem. A, 2019, 7, 12434-12439.
  • 279. Ni Zhao, Lu Wang*, Zixiang Zhang, Youyong Li*, "Activating the MoS2 Basal Planes for Electrocatalytic Hydrogen Evolution by 2H/1T' Structural Interface", ACS Appl. Mater. & Inter, 2019, 11, 45, 42014-42020.
  • 278. Zixiang Zhang, Mingye Yang, Ni Zhao, Lu Wang*, Youyong Li*, "Two-dimensional transition metal dichalcogenides as promising anodes for potassium ion batteries from first-principles prediction", Phys. Chem. Chem. Phys. 2019, 21, 42, 23441-23446.
  • 277. Cheng Liu, Huilong Dong*, Yujin Ji, Nopporn Rujisamphan, Youyong Li*, "The tunable catalysis on small core-shell copper nanoparticles for high-performance hydrogen evolution reaction", Journal of Colloid and Interface Science, 2019, 551, 130-137.
  • 276. Fangfang Zheng, Huilong Dong*, Yujin Ji, Youyong Li*, "Computational study on catalytic performance of BC3 and NC3 nanosheets as cathode electrocatalysts for nonaqueous Li-O2 batteries", J. Power Sources, 2019, 436, 226845.
  • 275. Yimin, Ding, Yujin Ji, Huilong Dong, Nopporn Rujisamphan, Youyong Li*, "Electronic properties and ORR catalytic activity of hBeN2 and MgN2 by first principles calculations", Nanotechnology, 2019, 30, 465202..
  • 274. Yuefeng Guo, Yujin Ji*, Huilong Dong, Lu Wang and Youyong Li *, Electronic and Optical properties of Defective MoSe2 Repaired by Halogen Atoms from First-principles Study. AIP Advances, 2019, 9(2): 025202.
  • 273. Huilong Dong*, Cheng Liu, Youyong Li*, De-en Jiang*, "Computational screening of M/Cu core/shell nanoparticles and their applications for the electro-chemical reduction of CO2 and CO", Nanoscale, 2019, 11, 23, 11351-11359.
  • 272. Qinqin Liu, Jiyou Shen, Xiaohui Yu, Xiaofei Yang, Wei Liu, Juan Yang, Hua Tang, Hui Xu, Huaming Li, Youyong Li, Jingsan Xue, "Unveiling the origin of boosted photocatalytic hydrogen evolution in simultaneously (S, P, O)-Codoped and exfoliated ultrathin g-C3N4 nanosheets", Applied Catalysis B: Environmental, 2019, 248, 5, 84-94.
  • 271. Liang Kuai, Yusheng Wang, Zixiang Zhang, Yingguo Yang, Yuanshuai Qin, Tian Wu, Yajuan Li, Youyong Li, Tao Song, Xingyu Gao, Lu Wang, Baoquan Sun, "Passivating Crystal Boundaries with Potassium‐Rich Phase in Organic Halide Perovskite", Sol. RRL, 2019,3, 1900053.
  • 270. Xiao-Bin Shen, Bin Song, Bei Fang, Xiao Yuan, You-Yong Li, Shun-Yi Wang, Shun-Jun Ji & Yao He, "Solvent polarity-induced photoluminescence enhancement (SPIPE): A method enables several-fold increase in quantum yield of silicon nanoparticles", Nano Research 2019, 12,315–322.
  • 269. Rui Zhang, Xing Fan, Zhouqi Meng, Haiping Lin, Qiutong Jin, Fei Gong, Ziliang Dong, Youyong Li, Qian Chen, Zhuang Liu, Liang Cheng, "Renal Clearable Ru-based Coordination Polymer Nanodots for Photoacoustic Imaging Guided Cancer Therapy", Theranostics 2019; 9(26):8266-8276.
  • 268. Lina Wang, Junjie Zhang, Kaifeng Niu, Chencheng Peng, Biao Yang, Nan Cao, Haiming Zhang, Haiping Lin, Youyong Li, Qing Li, Lifeng Chi, "Tailoring alkane uniaxial self-assembly via polymer modified step edges", J. Phys. Chem. C, 2019, 123, 47, 28811-28815.
  • 267. Teneng S. Ntia, Thidarat Supasai, I-Ming Tang, Vittaya Amornkitbumrung, Jianyu Yuan, Youyong Li, Thomas Dittrich, Nopporn Rujisamphan, "An analytical approach to CH3NH3PbI3 perovsktie solar cells based on different hole transport materials", Phys. Status Solidi A, 2019, 216, 1900087.
  • 266. Ye Jin, Mojie Duan, Xuwen Wang, Xiaotian Kong, Wenfang Zhou, Huiyong Sun, Hui Liu, Dan Li, Huidong Yu, Youyong Li*, Tingjun Hou*, "Communication between the ligand-binding pocket (LBP) and the activation function-2 (AF2) domain of androgen receptor revealed by molecular dynamics simulations", J. Chem. Inform. Model., 2019, 59, 2, 842-857.
  • 265. Xiaotian Kong, Peichen Pan, Huiyong Sun, Hongguang Xia, Xuwen Wang, Youyong Li, Tingjun Hou, "Drug discovery targeting anaplastic lymphoma kinase (ALK) ", J. Med. Chem., 2019, 62, 24, 10927-10954.
  • 264. Fangchao Li, Sijie Zhou, Jianyu Yuan, Chaochao Qin, Yingguo Yang, Junwei Shi, Xufeng Ling, Youyong Li, Wanli Ma, "Perovskite quantum dot solar cells with 15.6% efficiency and improved stability enabled by an alpha-CsPbI3/FAPbI3 bilayer structure", ACS Ener. Lett., 2019, 4, 11, 2571-2578.
  • 263. Xiao-li Wang, Chaozhuang Xue, Ningning Kong, Zhou Wu, Jiaxu Zhang, Xiang Wang, Rui Zhou, Haiping Lin, Youyong Li, Dong-Sheng Li, Tao Wu, "Molecular modulation of a molybdenum-Selenium cluster by sulfur substitution to enhance the hydrogen evolution reaction", Inorg. Chem. 2019, 58, 18, 12415-12421.
  • 262. Jin Zhang, Yujin Ji, Pengtang Wang, Qi Shao, Youyong Li, Xiaoqing Huang, "Adsorbing and activating N2 on heterogeneous Au-Fe3O4 Nanoparticles for N2 fixation", Adv. Funct. Mater., 2019, 30, 4, 1906579.
  • 261. Qixuan Zhong, Muhan Cao, Yafeng Xu, Pengli Li, Yong Zhang, Huicheng Hu, Di Yang, Yong Xu, Lu Wang, Youyong Li, Xiaohong Zhang, Qiao Zhang, "L-type Ligand-Assisted Acid-Free synthesis of CsPbBr3 nanocrystals with near-unity photoluminescence quantum yield and high stability", Nano Lett. 2019, 19, 6, 4151-4157.
  • 260. Minqi Sheng, Binbin Jiang, Bin Wu, Fan Liao, Xing Fan, Haiping Lin, Youyong Li, Yeshayahu Lifshitz, Shuit-Tong Lee, Mingwang Shao, "Approaching the volcano Top: Iridium/Silicon nanocomposites as efficient electrocatalysts for the hydrogen evolution reaction", ACS Nano, 2019, 3, 2786-2794.
  • 259. Lei Xie, Haiping Lin, Chi Zhang, Jingcheng Li, Nestor Merino-Diez, Niklas Friedrich, Xavier Bouju, Youyong Li, Jose Ignacio Pascual, Wei Xu, "Switching the spin on a Ni trimer within a metal-organic motif by controlling the on-top bromine atom", ACS Nano, 2019, 13, 9, 9936-9943.
  • 258. Yong Xu, Wenyi Bian, Qi Pan, Mingyu Chu, Muhan Cao, Youyong Li, Zhongmiao Gong, Rui Wang, Yi Cui, Haiping Lin, Qiao Zhang, "Revealing the active sites of Pd nanocrystals for propyne semi-hydrogenation: from theory to experiment", ACS Catalysis, 2019, 9, 8471-8480.
  • 257. Jundie Hu, Yujin Ji, Zhao Mo, Najun Li, Qingfeng Xu, Youyong Li, Hui Xu, Dongyun Chen, Jianmei Lu, "Engineering black phosphorus to porous g-C3N4-metal–organic framework membrane: a platform for highly boosting photocatalytic performance", J. Mater. Chem. A, 2019, 9, 4408-4414.
  • 256. Kaifeng Niu, Zhenhua Qi, Youyong Li, Haiping Lin, Lifeng Chi, "The theorectical investigation of on-purpose propane dehydrogenation over the two dimensional Ru-Pc framework", J. Phys. Chem. C, 2019, 123, 8, 4969-4976.
  • 255. Fangchao Li, Jianyu Yuan, Xufeng Ling, Lizhen Huang, Nopporn Rujisamphan, Youyong Li, Lifeng Chi, and Wanli Ma, "Metallophthalocyanine-Based Molecular Dipole Layer as a Universal and Versatile Approach to Realize Efficient and Stable Perovskite Solar Cells" ACS Appl. Mater. Interfaces, 2018, 10, 49, 42397-42405.
  • 254. Qi Zhang, Yujin Ji, Zhihui Chen, Daniele Vella, Xinyun Wang, Qing-hua Xu, Youyong Li, Goki Eda, "Controlled aqueous synthesis of 2D hybrid perovsites with bright room temperature long-lived luminescence", J. Phys. Chem. Lett., 2019, 10, 2869-2873.
  • 253. Dongliang Liu, Xing Fan, Xiang Wang, Dandan Hu, Chaozhuang Xue, Yong Liu, Ying Wang, Xing Zhu, Jun Guo, Haiping Lin, Youyong Li, Jun Zhong, Dongsheng Li, Xianhui Bu, Pingyun Feng, Tao Wu, "Cooperativity by Multi-metals confined in supertetrahedral sulfide nanoclusters to enhance electrocatalytic hydrogen evolution", Chemistry of Materials, 2019, 31, 2, 553-559.
  • 252. Biao Yang, Nan Cao, Huanxin Ju, Haiping Lin, Youyong Li,Honghe Ding, Jinqiang Ding, Junjie Zhang, Chencheng Peng, Haiming Zhang, Junfa Zhu,Qing Li,Lifeng Chi, "Intermediate States Directed Chiral Transfer on a Silver Surface", J. Am. Chem. Soc., 2019, 141, 1, 168-174.
  • 251. Zheng, Jianzhong; Zhang, Tingmei; Zeng, Huajie; Guo, Wei; Zhao, Bo; Sun, Yinghui; Li, Youyong; Jiang, Lin, "Multishelled Hollow Structures of Yttrium Oxide for the Highly Selective and Ultrasensitive Detection of Methanol", Small, 2019, 15, 1804688.
  • 250. Fangfang Zheng, Huilong Dong*, Yujin Ji, Youyong Li*, "Adsorption of Hydrazine on XC3 (X = B, Al, N, Si, and Ge) Nanosheets: A Computational Study" International Journal of Hydrogen Energy, 2019, 44, 6055-6064.
  • 249. Haili Liu, Huilong Dong*, Yujin Ji, Lu Wang, Tingjun Hou, Youyong Li*, "The adsorption, diffusion and capacity of lithium on novel boron-doped graphene nanoribbon: a density functional theory study", Applied Surface Science, 2019, 466, 737-745.
  • 248. FangfangZheng, HuilongDong*, YujinJi, YouyongLi*, "Adsorption and catalytic decomposition of hydrazine on metal-free SiC3 siligraphene", Applied Surface Science, 2019, 469, 316-324.

2018

  • 247. Yonggang Feng, Qi Shao, Yujin Ji, Xiaoneng Cui, Youyong Li*, Xing Zhu, Xiaoqing Huang*, Surface Modulated Palladium-Nickel Icosahedra as High-Performance Non-Platinum Oxygen Reduction Electrocatalysts, Science Advances, 2018, Vol. 4, no. 7, eaap8817.
  • 246. Lu Wang*, Hai Xiao, Tao Cheng, Youyong Li*, William A. Goddard III*, " Pb-activated Amine-assisted Photocatalytic Hydrogen Evolution Re-action on Organic-Inorganic Perovskites ", J. Am. Chem. Soc., 2018, 140, 1994-1997. (highlighted by XMOL: http://www.x-mol.com/news/11238)
  • 245. Sisi He, Fenglou Ni, Yujin Ji, Lie Wang, Yunzhou Wen, Haipeng Bai, Gejun Liu, Ye Zhang, Youyong Li*, Bo Zhang*, Huisheng Peng*, "The p‐Orbital Delocalization of Main‐Group Metals to Boost CO2 Electroreduction", Angew. Chem. Int. Ed. 2018, 57, 16114-16119.
  • 244. Lu Wang, William A. Goddard III*, Tao Cheng, Hai Xiao, Youyong Li*, "In silico Optimization of organic-inorganic hybrid perovskites for photocatalytic hydrogen reaction in acidic solution", J. Phys. Chem. C, 2018, 122, 36, 20918-20922 .
  • 243. Yuxin Ge, Hao Zhou, Yujin Ji, Lifeng Ding*, Yuanyuan Cheng, Ruiyao Wang, Siyuan Yang, Yufeng Liu, Xiaoyu Wu, and Youyong Li*,"Understanding Water Adsorption and the Impact on CO2 Capture in Chemically Stable Covalent Organic Frameworks", J. Phys. Chem. C, 2018, 122, 27495-27506.
  • 242. Yujin Ji, Huilong Dong, Cheng Liu, Youyong Li*, "The Progress of Metal-Free Catalysts for Oxygen Reduction Reaction based on Theoretical Simulations ", J. Mat. Chem. A. 2018, 6, 13489.
  • 241. Yujin Ji, Huilong Dong, Tingjun Hou, Youyong Li*, " Monolayer graphitic germanium carbide (g-GeC): the promising cathode catalyst for fuel cell and lithium–oxygen battery applications" J. Mat. Chem. A, 2018, 6, 2212-2218.
  • 240. Junqing Yan, Ling Li, Yujin Ji, Ping Li, Lingqiao Kong, Xuediao Cai, Youyong Li*, Tianyi Ma*, Shengzhong Liu*, "Nitrogen-promoted molybdenum dioxide nanosheets for electrochemical hydrogen generation", J. Mat. Chem. A, 2018, 6, 12532-12540.
  • 239. Yujin Ji, Mingye Yang, Haiping Lin, Tingjun Hou, Lu Wang*, Youyong Li*, Shuit-Tong Lee, "Janus Structures of Transition Metal Dichalcogenides as the Heterojunction Photocatalysts for Water Splitting", J. Phys. Chem. C, 2018, 122, 3123-3129.
  • 238. Huilong Dong*, Youyong Li*, Deen Jiang*, "First principles insight into electrocatalytic reduction of CO2 to CH4 on a copper nanoparticle." J. Phys. Chem. C, 2018,  122, 21, 11392-11398.
  • 237. Qichen Wang, Yujin Ji, Yongpeng Lei, Yaobing Wang, Yingde Wang, Youyong Li*, Shuangyin Wang*, "Pyridinic-N-dominated doped defective graphene as a superior oxygen electrocatalyst for ultrahigh-energy-density Zn-Air batteries", ACS Energy Lett. 2018, 3, 1183-1191.
  • 236. Huilong Dong*, Yujin Ji, Tingjun Hou, Youyong Li*, "Two-dimensional siligraphenes as cathode catalysts for nonaqueous lithium-oxygen batteries", Carbon, 2018, 126, 580-587.
  • 235, Xiaohui Yu, Huilong Dong*, Youyong Li*, "The deposition characteristics of PAN/PPY on SiO2 substrate by density functional theory (DFT) calculations", Applied Surface Science, 2018, 462, 890-895.
  • 234. Jian Yang, Yujin Ji, Qi Shao, Nan Zhang, Youyong Li, Xiaoqing Huang, "A Universal Strategy to Metal Wavy Nanowires for Efficient Electrochemical Water Splitting at pH-Universal Conditions", Adv. Funct. Mater., 2018, 28, 1803722.
  • 233. Lingqiao Kong, Yujin Ji, Zhenzhen Dang, Junqing Yan, Ping Li, Youyong Li, Shengzhong Liu, "g-C3N4 loading black phosphorus quantum dot for efficient and stable photocatalytic H2 generation under visible light", Adv. Funct. Mater., 2018, 28, 1800668.
  • 232. Huiru Fan, Yujin Ji, Qingfeng Xu, Feng Zhou, Bin Wu, Lihua Wang, Youyong Li*, Jianmei Lu*, "Sulfur (VI) fluoride exchange polymerization for large conjugate chromophores and functional main-chain polysulfates with nonvolatile memory performance", ChemPlusChem, 83, 5, 407-413.
  • 231. Yi Yu, Huiyong Sun, Tingjun Hou, Suidong Wang* and Youyong Li*, "Fullerene derivatives act as inhibitors of leukocyte common antigen based on molecular dynamics simulations", RSC advances, 2018, 8, 13997-14008.
  • 230. Cheng Liu, Huilong Dong*, Yujin Ji, Tingjun Hou, Youyong Li*, "Origin of the catalytic activity of phosphorus doped MoS2 for oxygen reduction reaction (ORR) in alkaline solution: a theoretical study", Scientific Reports, 2018, 8, 13292.
  • 229. Junqing Yan, Yujin Ji, Liangqiao Kong, Youyong Li, et al. "Black Phosphorus-Based Compound with Few Layers for Photocatalytic Water Oxidation", ChemCatChem, 2018, 10, 16, 3424-3428.
  • 228. Lulu Yang, Yujin Ji, Fan Liao, Yafei Cheng, Yuyang Sun, Youyong Li, Mingwang Shao, "Pt nanoparticle/Si nanowire composites as an excellent catalytic counter electrode for dye-sensitized solar cells", Electrochimica Acta, 2018, 271, 261-267.
  • 227. Zhe Wang, Xuwen Wang, Youyong Li, Tailong Lei, Ercheng Wang, Dan Li, Yu Kang, Feng Zhu, Tingjun Hou, "farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods", Bioinformatics, 2018, 1-3.
  • 226. Chao Shen, Zhe Wang, Xiaojun Yao, Youyong Li, Tailong Lei, Ercheng Wang, Lei Xu, Feng Zhu, Dan Li, Tingjun Hou, "Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power ", Briefings in Bioinformatics, 2020, 21, 1, 282-297.
  • 225. Fu Chen, Huiyong Sun, Junmei Wang, Feng Zhu, Hui Liu, Zhe Wang, Tailong Lei, Youyong Li,Tingjun Hou, "Assessing the performance of MM/PBSA and MM/GBSA methods. 8. Predicting binding free energies and poses of protein-RNA complexes", RNA, 2018, 24, 1183-1194.
  • 224. Xiaotian Kong, Huiyong Sun, Peichen Pan, Feng Zhu, Shan Chang, Lei Xu, Youyong Li, Tingjun Hou, "Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK", Phys. Chem. Chem. Phys., 2018, 20, 4651-4863.
  • 223. Zhe Wang, Yu Kang, Dan Li, Huiyong Sun , Xiaowu Dong, Xiaojun Yao , Lei Xu, Shan Chang, Youyong Li , and Tingjun Hou, "Benchmark Study Based on 2P2IDB to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors", J. Phys. Chem. B., 2018, 122, 9, 2544-2555.
  • 222. Jianzhi Gao, Haiping Lin, Xuhui Qin, Xin Zhang, Haoxuan Ding, Yitao Wang, Mahroo Rokni Fard, Dogan Kaya, Gangqiang Zhu, Qing Li, Youyong Li , Minghu Pan , Quanmin Guo, "Probing Phase Evolutions of Au-Methyl-Propyl-Thiolate Self-Assembled Monolayers on Au(111) at the Molecular Level", J. Phys. Chem. B, 2018, 122, 25, 6666-6672.
  • 221. Jianzhi Gao, Fangsen Li, Gangqiang Zhu, Zhibo Yang, Hongbing Lu, Haiping Lin, Qing Li, Youyong Li, Minghu Pan, Quanmin Guo, "Spontaneous Breaking and Remaking of the RS–Au–SR Staple in Self-assembled Ethylthiolate/Au(111) Interface", J. Phys. Chem. C, 2018, 122, 34, 19473-19480.
  • 220. Chencheng Peng, Haiping Lin, Kaifeng Niu, Junjie Zhang, Jinqiang Ding, Biao Yang, Nan Cao, Haiming Zhang, Youyong Li, Qing Li, Lifeng Chi, "Structural Evolutions of the Self-Assembled N-Decyldecanamide on Au(111)", J. Phys. Chem. C, 2018, 122, 39, 22538-22543.
  • 219. Xiaotian Sun, Zhigang Song, Shiqi Liu, Yangyang Wang , Youyong Li , Weizhou Wang , and Jing Lu, "Sub-5 nm Monolayer Arsenene and Antimonene Transistors", ACS Appl. Mater. Interfaces, 2018, 10, 22363–22371.
  • 218. Zheng, Jianzhong; Zhang, Junchang; Wang, Zi; Zhong, Liubiao; Sun, Yinghui; Liang, Zhiqiang; Li, Youyong; Jiang, Lin; Chen, Xiaodong; Chi, Lifeng, “ Programmable Negative Differential Resistance Effects Based on Self-Assembled Au@PPy Core-Shell Nanoparticle Arrays.” Advanced Materials, 2018, 30, 35, 1802731.
  • 217. Qing Li, Jianzhi Gao, Youyong Li, Miguel Fuentes-Cabrera, Mengxi Liu, Xiaohui Qiu, Haiping Lin, Lifeng Chi， “Self-assembly directed one-step synthesis of [4]radialene on Cu(100) surfaces”, Nature Communications, 2018, 9:3113 | DOI: 10.1038/s41467-018-05472-2.
  • 216. Hong Wang, Haiping Lin, Xing Fan, Stefan Ostendorp, Yandong Wang, Lizhen Huang, Lin Jiang, Youyong Li, Gerhard Wilde, Harald Fuchs, Wenchong Wang, Lifeng Chi, "Positioning growth of NPB crystalline nanowires on the PTCDA nanocrystal template", Nanoscale, 2018, 10, 21, 10262-10267.
  • 215. Zuozhong Liang, Xing Fan, Haitao Lei, Jing Qi, Youyong Li, Jinpeng Gao, Meiling Huo, Haitao Yuan, Wei Zhang, Haiping Lin, Haoquan Zheng, Rui Cao, "Cobalt-Nitrogen-Doped Helical Carbonaceous Nanotubes as a class of efficient electrocatalysts for the oxygen reduction reaction", Angew. Chem. Int. Ed. 2018, 57, 13187.
  • 214. Huajun Yang, Jiaxu Zhang, Min Luo, Wei Wang, Haiping Lin, Youyong Li, Dongsheng Li, Pingyun Feng, Tao Wu, "The largest supertetrahedral oxychalcogenide nanocluster and its unique assembly", J. Am. Chem. Soc., 2018, 140, 11189-11192.
  • 213. Siqi Zhao, Zeyuan Tang, Sijie Guo, Mumei Han, Cheng Zhu, Yunjie Zhou, Liang Bai, Jin Gao, Hui Huang, Youyong Li*, Yang Liu*, Zhenhui Kang*, "Enhanced Activity for CO2 Electroreduction on a Highly Active and Stable Ternary Au-CDots-C3N4 Electrocatalyst", ACS Catal., 2018, 8, 188–197.

2017

  • 212. Yunxia Liu, Krisztian Palotas, Xiao Yuan, Tingjun Hou, Haiping Lin*, Youyong Li*, Shuit-Tong Lee, "Atomistic origins of surface defects in CH3NH3PbBr3 perovskite and their electronic structures", ACS Nano, 2017, 11，2060-2065. (highlighted by XMOL: http://www.x-mol.com/news/6081 )
  • 211. Jiawei Liu, Yujin Ji, Yuqiang Liu, Zhouhui Xia, Yujie Han, Youyong Li*, Baoquan Sun*, "Doping-free asymmetrical silicon heterocontact achieved by integrating conjugated molecules for high efficient solar cell", Adv. Ener. Mat., 2017, 7, 1700311-1700317.
  • 210. Hui Bian, Yujin Ji, Junqing Yan, Ping Li, Ling Li, Youyong Li, Shengzhong Liu, "In Situ Synthesis of Few-Layered g-C3N4 with Vertically Aligned MoS2 Loading for Boosting Solar-to-Hydrogen Generation", Small, 14, 1703003.
  • 209. Matthew P. Hautzinger, Jun Dai, Yujin Ji, Yongping Fu, Jie Chen, Ilia A. Guzei, John C. Wright, Youyong Li, Song Jin, "Two-Dimensional Lead Halide Perovskites Templated by a Conjugated Asymmetric Diammonium", Inorganic Chemistry, 2017, 56, 14991.
  • 208. Peichen Pan, Huidong Yu, Qinglan Liu, Xiaotian Kong, Hu Chen, Jiean Chen, Qi Liu, Dan Li, Yu Kang, Huiyong Sun, Wenfang Zhou, Sheng Tian, Sunliang Cui, Feng Zhu, Youyong Li, Yong Huang, Tingjun Hou, "Combating Drug-resistant Mutants of ALK with Potent and Selective Type-I1/2 Inhibitors by Stabilizing Unique DFG-shifted Loop Conformation", ACS Cent. Sci., 2017, 3, 1208.
  • 207. Xiaohong Tan, Yujin Ji*, Huilong Dong, Meiyi Liu, Tingjun Hou, Youyong Li*, "A novel metal-free two-dimensional material for photocatalytic water splitting-phosphorus nitride (gamma-PN)", RSC Adv. 2017, 7, 50239.
  • 206. Yujin Ji, Huilong Dong*, Youyong Li*, "Theoretical predictions on Li-decorated borophenes as promising hydrogen storage materials", Chemistry Select, 2017, 2, 10304.
  • 205. Yujin Ji, Mingye Yang, Huilong Dong, Tingjun Hou, Lu Wang*and Youyong Li*, "Two-Dimensional Germanium Monochalcogenide Photocatalyst for Water Splitting under Ultraviolet, Visible to Near-infrared Light", Nanoscale, 2017, 9, 8608-8615. (Back Cover Story)
  • 204. Yujin Ji, Mingye Yang, Huilong Dong,* Lu Wang, Tingjun Hou, Youyong Li*, "Monolayer group IVAmonochalcogenides as potential and efficient catalysts for oxygen reduction reaction from the first-principles calculations", J. Mater. Chem. A. 2017, 5, 1734 - 1741.
  • 203. Yujin Ji, Huilong Dong,* Mingye Yang, Tingjun Hou, Youyong Li* ， “Monolayer germanium monochalcogenides (GeS/GeSe) as cathode catalysts in nonaqueous Li −O 2 batteries”， Phys. Chem. Chem. Phys., 2017, 19, 20457 - 20462. (selected as 2017 PCCP HOT Articles)
  • 202. Yujin Ji, Lifeng Ding,* Yuanyuan Cheng, Hao Zhou, Siyuan Yang, Fan Li, and Youyong Li,*"Understanding the effect of ligands on C2H2 storage and C2H2/CH4, C2H2/CO2 separation in metal-organic frameworks with open Cu(II) sites", J. Phys. Chem. C., 2017, 121, 24104-24113.
  • 201. Junqing Yan, Ping Li, Yujin Ji, Hui Bian, Youyong Li*, Shengzhong Liu*, "Earth-abundant elements doping for robust and stable solar-driven water splitting of FeOOH", J. Mater. Chem. A. 2017, 5, 21478-21485.
  • 200. Xiaotian Sun, Yunxia Liu, Zhigang Song, Yongdan Li, Weizhou Wang, Haiping Lin, Lu Wang* and Youyong Li*, "Title Structures, Mobility and Electronic Properties of Point Defects in Arsenene, Antimonene and Antimony Arsenide Alloy", J. Mater. Chem. C, 2017, 5, 4159-4166. (Back Cover Story)
  • 199. Mingye Yang, Lu Wang*, Tingjun Hou, Youyong Li*, "Controlling of the Electronic Properties of WS2 and Graphene Oxide Heterostructures from First-principles calculations", J. Mater. Chem. C, 2017, 5, 201.
  • 198. Huilong Dong,* Lu Wang, Liujiang Zhou, Tingjun Hou, Youyong Li,* "Theoretical investigations on novel SiC5 siligraphene as gas sensor for air pollutants", Carbon, 2017, 113, 114-121.
  • 197. Xiao Yuan, Mingye Yang, Lu Wang*, Youyong Li*, "Structural Stability and Intriguing Electronic Prop erties of Two-dimensional Transition Metal Dichalcogenides Alloys", Phys. Chem. Chem. Phys., 2017, 19, 13846 .
  • 196. Yi Yu; Huiyong Sun; Keith Gilmore; Tingjun Hou; Sui-Dong Wang*; Youyong Li*, "Aggregated single-walled carbon nanotubes absorbs and deforms dopamine-related proteins based on molecular dynamics simulations", ACS Applied Materials & Interfaces, 2017, 9, 32452-32462.
  • 195. Feng Zhou, Bin Wu, Huilong Dong, Qingfeng Xu, Jinghui He, Youyong Li, Jun Jiang, Jianmei Lu, "The application of a small-molecule-based ternary memory device in transient thermal-probing electronics", Adv. Mater., 2017. 29, 1604162.
  • 194. Jianyu Yuan, Michael J. Ford, Yannan Zhang, Huilong Dong, Zhi Li, Youyong Li, Thuc-Quyen Nguyen, Guillermo C. Bazan, Wanli Ma, "Toward Thermal Stable and High Photovoltaic Efficiency Ternary Conjugated Copolymers: Influence of Backbone Fluorination and Regio-selectivity", Chemistry of Materials, 2017, 29, 1758-1768.
  • 193. Yujie Han, Yuqiang Liu, Jianyu Yuan, Huilong Dong, Youyong Li, Wanli Ma, Shuit-Tong Lee, and Baoquan Sun, "Naphthalene Diimide-Based n-Type Polymers: Efficient Rear Interlayers for High-Performance Silicon–Organic Heterojunction Solar Cells", ACS Nano, 2017, 11, 7215-7222.
  • 192. Yafei Cheng, Xing Fan, Fan Liao, Shunkai Lu, Youyong Li, Liangbin Liu, Yanqing Li, Haiping Lin, Mingwang Shao, Shuit-Tong Lee, " Os/Si nanocomposites as excellent hydrogen evolution electrocatalysts with thermodynamically more favorable hydrogen adsorption free energy than platinum", Nano Energy, 2017, 39, 284-290.
  • 191. Xiaolin Lv, Kaiqi Nie, Huiwen Lan, Xin Li, Youyong Li, Xuhui Sun, Jun Zhong, Shuit-Tong Lee, "Fe2TiO5-incorporated hematite with surface P-modification for high efficiency solar water splitting", Nano Energy, 2017, 32, 526-532.
  • 190. Wang P, fang Y, Jiang J, Ji Y, Li YY, Zheng J, Xu Q, Lu JM, "Resistance Controllability in Alkynylgold(III) Complex- based Resistive Memory for Flash-type Storage Applications", Chem Asian J. 2017, 12,1790.
  • 189. Peng Wang, Hongliang Wang, Yu Fang, Hua Li, Jinghui He, Yujin Ji, Youyong Li, Qingfeng Xu, Junwei Zheng, Jianmei Lu, "Thermoresponsive Memory Behavior in Metallo-Supramolecular Polymer-based Ternary Memory Devices", ACS Applied Materials & Interfaces, 2017, 9, 32930.
  • 188. Binbin Jiang, Zeyuan Tang, Fan Liao, Haiping Lin, Shunkai Lu, Youyong Li, Mingwang Shao, "Powerful synergy: efficient Pt-Au-Si nanocomposites as state-of-the-art catalysts for electrochemical hydrogen evolution", J. Mater. Chem. A. 2017, 5, 21903.
  • 187. Jing Gao, Yujin Ji, Youyong Li, Jun Zhong, Xuhui Sun, "The Morphological Effect on Electronic Structure and Electrical Transport Property of One-dimensional Carbon Nanostructures", RSC Advances, 2017,7, 21079.
  • 186. Zhaoran Wang, Huilong Dong*, Xiaohui Yu, Yujin Ji, Tingjun Hou, Youyong Li*, "Two-dimensional porous polyphthalocyanine (PPc) as an efficient gas-separation membrane for ammonia synthesis", Current Applied Physics, 2017, 17, 1765.
  • 185. Xiaotian Kong, Huiyong Sun, Peichen Pan, Dan Li, Feng Zhu, Shan Chang, Lei Xu, Youyong Li*, and Tingjun Hou*, "How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study", Scientific Reports, 2017, 7, 9088.
  • 184. Lei, Tailong; Sun, Huiyong; Kang, Yu; Zhu, Feng; Liu, Hui; Zhou, Wenfang; Wang, Zhe; Li, Dan; Li, Youyong; Hou, Tingjun, "ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches", Molecular Pharmaceutics, 2017,14, 3935.
  • 183. Lei, Tailong; Chen, Fu; Liu, Hui; Sun, Huiyong; Kang, Yu; Li, Dan; Li, Youyong; Hou, Tingjun; "ADMET Evaluation in Drug Discovery. 17. Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity", Molecular Pharmaceutics, 2017, 14, 2407.
  • 182. Sun, Huiyong; Li, Youyong; Shen, Mingyun; Li, Dan; Kang, Yu; Hou, Tingjun, "Characterizing Drug-Target Residence Time with Metadynamics: How to Achieve Dissociation Rate Efficiently without Losing Accuracy against Much Time-Consuming Approaches", Journal of Chemical Information and Modeling, 2017, 57, 8, 1895.
  • 181. Tian, Sheng; Wang, Xu; Li, Linlang; Zhang, Xiaohu; Li, Youyong; Zhu, Feng; Hou, Tingjun; Zhen, Xuechu, "Discovery of Novel and Selective Adenosine A2A Receptor Antagonists for Treating Parkinson's Disease through Comparative Structure-based Virtual Screening" Journal of Chemical Information and Modeling, 2017, 57(6), 1474.
  • 180. Zhixiong Zhan, Linlang Li, Sheng Tian, Xuechu Zhen Youyong Li*, "Prediction of Chemical Biodegradability by Using Computational Methods" Molecular Simulation, 2017, 43 (13-16) , 1277-1290.
  • 179. Fu Chen, Huiyong Sun, Hui Liu, Dan Li, Youyong Li, Tingjun Hou, "Predicition of luciferase inhibitors by high-performance MIEC-GBDT approach based on interaction energetic patterns" Phys. Chem. Chem. Phys., 2017,19, 10163-10176.
  • 178. Hualin Ye, Lu Wang, Shuo Deng, Xiaoqiao Zeng, Kaiqi Nie, Paul N. Duchesne, Bo Wang, Simon Liu, Junhua Zhou, Feipeng Zhao, Na Han, Peng Zhang, Jun Zhong, Xuhui Sun, Youyong Li, Yanguang Li and Jun Lu, “Amorphous MoS3 Infiltrated with Carbon Nanotubes as an Advanced Anode Material of Sodium-Ion Batteries with Large Gravimetric, Areal and Volumetric Capacitites”. Adv. Energy. Mater. 2017, 7, 1601602.
  • 177. Junhua Zhou, Lu Wang, Mingye Yang, Jinghua Wu, Fengjiao Chen, Wenjing Huang, Na Han, Hualin Ye, Feipeng Zhao, Youyong Li, Yanguang Li, "Hierarchical VS2 Nanosheet assemblies: a uniersal host material for the reversible storage of alkali metal ions", Adv. Mater., 2017, 29, 1702061.

2016

  • 176. Lili Zhu, Haiping Lin, Youyong Li*, Fan Liao, Yeshayahu Lifshitz, Minqi Sheng, Shuit-Tong Lee*, Mingwang Shao*, "A rhodium/silicon co-electrocatalyst design concept to surpass platinum hydrogen evolution activity at high overpotentials." Nature Communication, 2016, 7, 12272.
  • 175. Huilong Dong, Liujiang Zhou*, Thomas Frauenheim, Tingjun Hou, Shuit-Tong Lee, Youyong Li*, "SiC7 siligraphene: novel donor material with extraordinary sunlight absorption", Nanoscale, 2016, 8, 6994 - 6999. (Highlighted by "Chemistry World" and Soochow University, featured as a Hot article in the online collection.)
  • 174. Lu Wang, Huilong Dong, Zhenyu Guo*, Liling Zhang, Tingjun Hou, Youyong Li*, "Potential Application of Novel Boron-doped Graphene Nanoribbon as Oxygen Reduction Reaction Catalyst", J. Phys. Chem. C, 2016, 120, 17427-17434.
  • 173. Yunxia Liu, Yao-Jun Dong, Zeyuan Tang, Xue-Feng Wang, Lu Wang, Tingjun Hou, Haiping Lin*, Youyong Li*, "Stable and metallic borophene nanoribbons from first-principles calculations.", J. Mater. Chem. C., 2016, 4, 6380-6385.
  • 172. Ke Liang, Caijun Zheng*, Kai Wang, Wei Liu, Zhenyu Guo, Youyong Li*, Xiaohong Zhang*, "Theoretical investigation of the singlet-triplet splittings for carbazole-based thermally activated delayed fluorescence emitter", Phys. Chem. Chem. Phys. 2016, 18, 26623-26629.
  • 171. Ke Liang, Xue Chen, Zhenyu Guo*, Tingjun Hou, Xiaohong Zhang, Youyong Li*, "Lithium intercalation and diffusion in the TiO2 nanotubes: A first-principles investigation", Phys. Chem. Chem. Phys., 2016, 18, 24370 - 24376.
  • 170. Yujin Ji, Huilong Dong, Haiping Lin*, Liling Zhang, Tingjun Hou, Youyong Li*, "Theoretical insight into heptazine-based graphitic carbon nitride as an effective hydrogen purification membrane", RSC Advances, 2016, 6, 52377-52383.
  • 169. Bin Lin, Huilong Dong, Chunmiao Du, Tingjun Hou, Haiping Lin*, Youyong Li*, "B40 fullerene as a highly sensitive molecular device for NH3 detection at low bias: a first-principles study", Nanotechnology, 2016, 27, 075501.
  • 168. Qing Li, Biao Yang, Haiping Lin, Nabi Aghdassi, Kangjian Miao, Junjie Zhang, Haiming Zhang, Youyong Li, Steffen Duhm, Jian Fan, and Lifeng Chi, "Surface-controlled mono-/di-selective ortho C-H bond activation", J. Am. Chem. Soc., 2016,138, 2809-2814.
  • 167. Biao Yang, Haiping Lin, Kangjian Miao, Pan Zhu, Liangbo Liang, Kewei Sun, Haiming Zhang, Jian Fan, Vincent Meunier, Youyong Li, Qing Li, Lifeng Chi, "Catalytic dealkylation of ethers to alcohols on metal surfaces", Angew. Chem. Int. Ed., 2016, 55, 9881-9885.
  • 166. Zhongmiao Gong, Biao Yang, Haiping Lin, Yunyu Tang, Zeyuan Tang, Junjie Zhang, Haiming Zhang, Youyong Li, Yongshu Xie, Qing Li, and Lifeng Chi, "Structural Variation in Surface Supported Synthesis by Adjusting Stoichiometric Ratio of the Reactants", ACS Nano, 2016, 10, 4228-4235.
  • 165. Muhan Cao, Zeyuan Tang, Qipeng Liu, Yong Xu, Min Chen, Haiping Lin, Youyong Li, Elad Gross, Qiao Zhang, "The synergy between metal facet and oxide support facet for enhanced catalytic performance: The case of Pd-TiO2", Nano Lett. 2016, 16, 5298-5302.
  • 164. Hui Zhang, Liwei Fan, Huilong Dong, Pingping Zhang, Kaiqi Nie, Jun Zhong, Youyong Li, Jinghua Guo, Xuhui Sun, "Spectroscopic investigation of plasma-fluorinated monolayer graphene and application for gas sensing", ACS Appl. Mater. Interfaces, 2016, 8, 8652-8661.
  • 163. Lai Xu, Youyong Li, "Responsive guest encapsulation of dynamic conjugated microporous polymers", Scientific Reports, 2016, 6, 28784.
  • 162. Jianyu Yuan, Michael Ford, Guanqun Ding, Huilong Dong, Ming Wang, Lu Han, Youyong Li, Guillermo C. Bazan, Wanli Ma, "Narrow bandgap conjugated polymers based on a high-mobility polymer template for visibly transparent photovoltaic devices", J. Mater. Chem. A, 2016, 4, 17333-17343.
  • 161. Wen Yang, Chunchun Li, Mengmeng Zhang, Weiqun Zhou, Renyu Xue, Haili Liu, Youyong Li, "Aggregation-induced emission and intermolecular charge transfer effect in triphenylamine fluorophores containing diphenylhydrazone structures", Phys. Chem. Chem. Phys., 2016, 18, 28052-28060.
  • 160. Jing Li, Wen Yang, Weiqun Zhou, Chunchun Li, Zhongqing Cheng, Mengying Li, Liqun Xie, Youyong Li, "Aggregation-induced emission in fluorophores containing a hydrazone structure and a central sulfone: restricted molecular rotation", RSC Adv. 2016, 6, 35833-35841.
  • 159. Liang Gu, Huilong Dong, Zhe Sun, Youyong Li, Feng Yan, "Spirocyclic quaternary ammonium cations for alkaline anion exchange membrane applications: an experimental and theorectical study", RSC Adv. 2016, 6, 94387-94398.
  • 158. Quan Liu, Qingfeng Xu, Huilong Dong, Hua Li, Dongyun Chen, Lihua Wang, Youyong Li, Jianmei Lu, "A salification-induced charge transfer effect for improving the resistive memory performance of azo derivative-based devices", RSC adv., 2016, 6, 10471.
  • 157. Xiaohui Yu, Huilong Dong, Lu Wang, Youyong Li*, "Strain Effects on the electronic and transport properties of TiO2 nanotubes", RSC adv., 2016, 6, 80431 - 80437.
  • 156. Xue Chen, Oleg Prezhdo, Zeyao Ma, Tingjun Hou, Zhenyu Guo*, Youyong Li*, "Ab Initio Phonon Coupled Nonadiabatic Relaxation Dynamics of [Au25(SH)18 ]- Clusters", Physica Status Solidi B: Basic Solid State Physics, 2016, 253, 458.
  • 155. Yujin Ji, Chunmiao Du, Xiaojuan Xu, Tingjun Hou, Youyong Li*, "Characterizing the morphology and efficiency of polymer solar cell by experiments and simulations", Molecular Simulation, 2016, 42:10, 836-845.
  • 154. Shuangquan Wang, Huiyong Sun, Hui Liu, Dan Li, Youyong Li, Tingjun Hou, "Perdicting hERG blockers by combining multiple pharmacophores and machine learning approaches", Molecular Pharmaceutics, 2016, 13, 2855-2866.
  • 153. Peichen Pan, Huiyong Sun, Hui Liu, Dan Li, Wenfang Zhou, Xiaotian Kong, Youyong Li, Huidong Yu, Tingjun Hou, "In Silico Exploration for Novel Type-I Inhibitors of Tie-2/TEK: The Performance of Different Filtering Criteria in Selecting Virtual Screening Candidates" Scientific Reports, 2016, 6, 37628.
  • 152. Fu Chen, Hui Liu, Huiyong Sun, Peichen Pan, Youyong Li, Dan Li, Tingjing Hou, "Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking", Phys. Chem. Chem. Phys. 2016, 18, 22129-22139.
  • 151. Zhe Wang, Huiyong Sun, Xiaojun Yao, Dan Li, Lei Xu, Youyong Li, Sheng Tian, Tingjun Hou, "Comprehensive evaulation of ten docking programs on a diverse set of protein-ligand complexes: prediction accuracy of sampling power and scoring power", Phys. Chem. Chem. Phys., 2016, 18, 12964.
  • 150. Huiyong Sun, Peichen Pan, Sheng Tian, Lei Xu, Xiaotian Kong, Youyong Li, Dan Li, Tingjun Hou, "Constructing and Validating High-Performance MIEC-SVM Models in Virtual Screening for Kinases: A Better Way for Actives Discovery", Scientific Reports, 2016, 6, 24817.
  • 149. Huiyong Sun, Pengcheng Chen, Dan Li, Youyong Li, Tingjun Hou, "Directly-binding rather than induced-fit dominated binding affinity difference in (S) and (R)-crizotinib bound MTH1", Journal of Chemical Theory and Computation, 2016, 12, 851-860.
  • 148. Tailong Lei, Dan Li, Youyong Li, Huiyong Sun, Tingjun Hou, "ADMET Evaluation in Drug Discovery. 15. Accurate Prediction of Rat Oral Acute Toxicity Using Relevance Vector Machine and Consensus Modeling", Journal of Cheminformatics, 2016, 8, 6.
  • 147. Qian Zhang, Ting Feng, Huiyong Sun, Peichen Pan, Youyong Li, Dan Li, Tingjun Hou, "Recent advances on protein-protein docking" Current Drug Targets, 2016, 17, 999.
  • 146. Lei Xu, Dan Li, Li Tao, Yanling Yang, Youyong Li, Tingjun Hou, "Binding mechanisms of 1,4-dihydropyridine derivatives to L-ytpe calcium channel Cav1.2: Molecular Modeling Study.", Mol. Biosyst., 2016, 12, 379-390.
  • 145. Hui Liu, Dan Li, Youyong Li, Tingjun Hou, "Atomistic molecular dynamics simulations of ATP-binding cassette transporters", WIREs Computational Molecular Science, 2016, 6:255-265.
  • 144. Xiaotian Kong, Huiyong Sun, Peichen Pan, Sheng Tian, Dan Li, Youyong Li*, Tingjun Hou*, "Molecular Principle of Cyclin-dependent Kinases Selectivity of 4-(Thiazol-5-yl)-2-(phenylamino) pyrimidine-5-carbonitrile Derivatives Revealed by Molecular Modeling Studies", Phys. Chem. Chem. Phys., 2016, 18, 2034.

2015

  • 143. Robin Ohmann, Luis K. Ono, Hui-Seon Kim, Haiping Lin, Michael V. Lee, Youyong Li*, Nam-Gyu Park*, Yabing Qi*, "Real-space imaging of the atomic structure of organic-inorganic perovskite", J. Am. Chem. Soc., 2015, 137, 16049-16054. (highlighted by X-MOL http://www.x-mol.com/news/1863 )
  • 142. Chunmiao Du, Yujin Ji, Junwei Xue, Tingjun Hou, Jianxin Tang, Shuit-Tong Lee, Youyong Li*, "Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory", Scientific Reports, 2015, 5, 16854; doi: 10.1038/srep16854.
  • 141. Xiaojuan Xu, Yujin Ji, Chunmiao Du, Tingjun You, Youyong Li*, "The Prediction of the morphology and PCE of Small Molecular Organic Solar Cells", RSC Advances, 2015, 5, 70939-70948.
  • 140. Xuejie Dang, Huilong Dong, Lu Wang, Yanfei Zhao, Zhenyu Guo, Tingjun Hou, Youyong Li*, Shuit-Tong Lee*, "Semiconducting Graphene on Silicon from First-Principle Calculations", ACS Nano, 2015, 9, 8562-8568.
  • 139. Chunmiao Du, Haiping Lin,* Bin Lin, Zeyao Ma, Tingjun Hou, Jianxin Tang and Youyong Li*, "MoS2 supported platinum single atom and its superior catalytic activity for CO oxidation: a density functional theory study", Journal of Materials Chemistry A, 2015, 3, 23113-23119. (Back Cover Story)
  • 138. Peichen Pan, Sheng Tian, Huiyong Sun, Xiaotian Kong, Wenfang Zhou, Dan Li, Youyong Li, Tingjun Hou, "Identification and Preliminary SAR Analysis of Novel Type-I Inhibitors of TIE-2 via Structure-Based Virtual Screening and Biological Evaluation in in vitro Models", Journal of Chemical Information and Modeling, 2015, 55, 2693-2704.
  • 137. Mingyun Shen, Sheng Tian, Peichen Pan, Huiyong Sun, Dan Li, Youyong Li, Hefeng Zhou, Chuwen Li, Simon Ming-Yuen Lee, Tingjun Hou, "Discovery of Novel ROCK1 Inhibitors via Integrated Virtual Screening Strategy and Bioassays", Scientific Reports, 2015, 5, 16749, doi: 10.1038/srep16749.
  • 136. Huilong Dong, Bin Lin, Keith Gilmore, Tingjun Hou, Shuit-Tong Lee, Youyong Li*, "Theoretical investigations on SiC2 siligraphene as promising metal-free catalyst for oxygen reduction reaction", Journal of Power Sources, 2015, 299, 371-379.
  • 135. Huilong Dong, Tingjun Hou, Shuit-Tong Lee, Youyong Li*, "New Ti-decorated B40 fullerene as a promising hydrogen storage material", Scientific Reports, 2015, 5, 09952; doi: 10.1038/srep09952.
  • 134. Huilong Dong, Keith Gilmore, Bin Lin, Tingjun Hou, Shuit-Tong Lee, Zhenyu Guo*, and Youyong Li*, "Adsorption of metal adatom on nanographene: Computational investigations", Carbon, 2015, 89, 249-259.
  • 133. Huilong Dong, Zhenyu Guo, Keith Gilmore, Chunmiao Du, Tingjun Hou, Shuit-Tong Lee, Youyong Li*, "Band gap modulation of Si-C binary core/shell nanowires by composition and ratio", Nanotechnology, 2015, 26, 275201.
  • 132. Huilong Dong, Bin Lin, Keith Gilmore, Tingjun Hou, Shuit-Tong Lee, Youyong Li*, "B40 fullerene: an efficient material for CO2 capture, storage and separation", Current Applied Physics, 2015, 15, 1084-1089.
  • 131. Shuo Deng, Lu Wang*, Tingjun Hou, Youyong Li*, "Two-Dimensional MnO2 as a Better Cathode Mateiral for Lithium Ion Batteries", J. Phys. Chem. C, 2015, 119, 28783-28788.
  • 130. Xiaotian Sun, Lu Wang*, Haiping Lin, Tingjun Hou, Youyong Li*, "Induce Magnetism into Silicene by Embedding Transition-Metal Atoms", Appl. Phys. Lett., 2015, 106, 222401. (Cover Story)
  • 129. Min Li, Lu Wang*, Ningning Yu, Xiaotian Sun, Tingjun Hou and Youyong Li*, "Structural stability and band gap tunability of single-side hydrogenated graphene from first principles calculations", J. Mater. Chem. C, 2015, 3, 3645.
  • 128. Ningning Yu, Lu Wang*, Min Li , Xiaotian Sun, Tingjun Hou, Youyong Li*, "Molybdenum Disulfide as a Highly Efficient Absorbent for Non-polar Gases", Phys. Chem. Chem. Phys., 2015, 17, 11700-11704.
  • 127. Mingye Yang, Lu Wang*, Min Li, Tingjun Hou, Youyong Li*, "Structural stability and O2 dissociation on nitrogen-doped graphene with transition metal atoms embedded: A first-principles study", AIP Advances, 2015, 5, 067136.
  • 126. Biao Yang , Jonas Björk , Haiping Lin , Xiaoqing Zhang , Haiming Zhang , Youyong Li , Jian Fan , Qing Li , and Lifeng Chi, "Synthesis of Surface Covalent Organic Frameworks via Dimerization and Cyclotrimerization of Acetyls", J. Am. Chem. Soc., 2015, 137, 4904-4907 .
  • 125. Haiming Zhang, Haiping Lin, Kewei Sun, Long Chen, Yulian Zagranyarski, Nabi Aghdassi, Steffen Duhm, Qing Li, Dingyong Zhong, Youyong Li, Klaus Müllen, Harald Fuchs, and Lifeng Chi, "On-surface Synthesis of Rylene-type Graphene Nanoribbons", J. Am. Chem. Soc., 2015, 137, 4022-4025.
  • 124. Qianfeng Gu, Jinghui He, Dongyun Chen, Huilong Dong, Youyong Li, Hua Li, Qingfeng Xu, Jianmei Lu, "Multilevel conducance switching of a memory device induced by enhanced intermolecular charge transfer", Advanced Materials, 2015, 27, 5968-5973.
  • 123. Yiling Zhong, Xiaotian Sun, Siyi Wang, Fei Peng, Feng Bao, Yuanyuan Su, Youyong Li, Shuit-Tong Lee, Yao He, "Facile, large-quantity synthesis of stable, tunable-color silicon nanoparticles and their application for long term cellular imaging", ACS Nano, 2015, 9, 5958-5967.
  • 122. Kai Yao, Pengli Tan, Yinchan Luo, Liangzhu Feng, Ligeng Xu, Zhuang Liu, Youyong Li*, Rui Peng*, "Graphene Oxide Selectively Enhances Thermostability of Trypsin" ACS Applied Materials & Interfaces, 2015, 7, 12270-12277.
  • 121. Guangbao Yang, Hua Gong, Xiaoxin Qian, Pengli Tan, Zhiwei Li, Teng Liu, Jingjing Liu, Youyong Li*, Zhuang Liu*, "Mesoporous silica nanorods intrinsically doped with photosensitizers as a multifunctional drug carrier for combination therapy of cancer" Nano Research, 2015, 8, 751-764.
  • 120. Chongqian Zhang, Chunmiao Du, Zhiwei Feng, Jingyu Zhu,Youyong Li*, “HQSAR, docking, and molecular dynamics studies of inhibitors for CXCR4”, Chemical Biology & Drug Design, 2015, 85, 119-136.
  • 119. Xiaotian Kong, Peichen Pan, Dan Li, Sheng Tian, Youyong Li*, Tingjun Hou*, "Importance of Protein Flexibility in Ranking Inhibitor Affinities: Modeling the Binding Mechanisms of Piperidine Carboxamides as Type I1/2 ALK Inhibitors", Phys. Chem. Chem. Phys., 2015, 17, 6098.
  • 118. Pengli Tan, Zhiwei Feng, Liling Zhang, Tingjun Hou, Youyong Li*, “The mechanism of proton translocation in respiratory complex I from molecular dynamics”, Journal of Receptors and Signal Transduction, 2015, 35, 170-179.
  • 117. Xueli Shen, Xiaodong Wei, Pengli Tan, Yingguo Yu, Biao Yang, Zhongmiao Gong, Haiming Zhang, Youyong Li, Qing Li, Yongshu Xie and Lifeng Chi, “Concentration Controlled Reversible Phase Transitions in Self-Assembled Monolayer on HOPG Surfaces,” Small, 2015, 11, 2284-2290.
  • 116. Yue Hu, Bin Lin, Peng He, Youyong Li, Yining Huang, Yang Song, "The structural stability of and enhanced CO2 storage in MOF MIL-68 (In) under high pressures probed by FTIR spectroscopy", Chemistry - A European Journal, 2015, 21, 18739-18748.
  • 115. Jianyu Yuan, Yu Liu, Huilong Dong, Xiaobo Shi, Zeke Liu, Youyong Li, Wanli Ma, "The effect of molecular geometry on the polymer/fullerene ratio in polymer solar cells", Polymer Chemistry, 2015, 6, 7550-7557.
  • 114. Yong Ma, Hong-Xia Chen, Feng Zhou, Hua Li, Huilong Dong, Youyong Li, Zhijun Hu, Qingfeng Xu, Jianmei Lu, "Metal complex modified azo polymers for multilevel organic memories", Nanoscale, 2015, 7, 7659.
  • 113. Yong Ma, Peiyang Gu, Feng Zhou, Huilong Dong, Youyong Li, Qingfeng Xu, Jianmei Lu, Wanli Ma, ""Different interactions between a metal electrode and an organic layer and their different electrical bistability performances", RSC Adv., 2015, 5, 7083-7089.
  • 112. Shuangying Ma, Chaoyu He, L. Z. Sun, Haiping Lin, Youyong Li, K. W. Zhang, "Stability of two-dimensional PN monolayer sheets and their electronic properties" , Phys. Chem. Chem. Phys., 2015, 17, 32009.
  • 111. Yu Zhang, Lei Xu, Zhiqiang Zhang, Zhiyu Zhang, Longtai Zheng, Dan Li, Youyong Li, Feng Liu, Kunqian Yu, Tingjun Hou, Xuechu Zhen, "Structure−Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors", Journal of Chemical Information and Modeling, 2015, 55, 1994-2004.
  • 110. Huiyong Sun, Sheng Tian, Youyong Li, Dan Li, Peichen Pan, Tingjun Hou, "Revealing the favorable dissociation pathway of type II kinase inhibitors via enhanced sampling simulations and two-end-state calculations", Scientific Reports, 2015, 5, 8457.
  • 109. Sheng Tian, Junmei Wang, Youyong Li, Dan Li, Lei Xu, Tingjun Hou, "The application of in silico drug-likeness predictions in pharmaceutical research" Advanced Drug Delivery Reviews, 2015, 86, 2-10.
  • 108. Mingyun Shen, Peichen Pan, Youyong Li, Dan Li, Huidong Yu, Tingjun Hou, "Farnesyltransferase (FTase) and geranylgeranyltransferase I (GGTase-I): structures, mechanism, inhibitors and molecular modeling", Drug Discovery Today, 2015, 20, 267-276.
  • 107. Huali Shi, Sheng Tian, Youyong Li, Dan Li, Huidong Yu, Xuechu Zhen, Tingjun Hou, "ADMET Evaluation in Drug Discovery. 14. Prediction of human pregnane X receptor activators by using naïve Bayesian classification technique", Chemical Research in Toxicology, 2015, 28, 116-125.
  • 106. Yan Guan, Huiyong Sun, Peichen Pan, Youyong Li, Dan Li, Tingjun Hou, "Exploring Resistance Mechanisms of HCV NS3/4A Protease Mutations to MK5172: Insight from Molecular Dynamics Simulations and Free Energy Calculations" Mol. Biosyst., 2015, 11, 2568-2578.
  • 105. Lei Xu, Youyong Li, Dan Li, Peng Xu, Sheng Tian, Huiyong Sun, Hui Liu, Tingjun Hou, "Exploring the binding mechanisms of MIF to CXCR2 by theoretical approaches" Phys. Chem. Chem. Phys., 2015, 17, 3370-3382.

2014

  • 104. Zhenyu Guo, Oleg Prezhdo, Tingjun Hou, Xue Chen, Shuit-Tong Lee, Youyong Li*, "Fast Energy Relaxation by Trap States Decreases Electron Mobility in TiO2 Nanotubes: Time-Domain Ab Initio Analysis", J. Phys. Chem. Lett., 2014, 5, 1642.
  • 103. Xiaotian Sun, Zhiwei Feng, Tingjun Hou, Youyong Li* , "The Mechanism of Graphene Oxide as an Enzyme Inhibitor from Molecular Dynamics Simulations", ACS Applied Materials & Interfaces, 2014, 6, 7153.
  • 102. Qian Chen, Chao Wang, Zhixiong Zhan, Weiwei He, Zhenping Cheng, Youyong Li*, Zhuang Liu*, "Near-infrared dye bound albumin with separated imaging and therapy wavelength channels for imaging-guided photothermal therapy", Biomaterials, 2014, 35, 8206.
  • 101. Zhihong Si, Lihua Qiu, Huilong Dong, Fenglou Gu, Youyong Li*, Feng Yan*, “Effects of Substituents and Substitution Positions on Alkaline Stability of Imidazolium Cations and Their Corresponding Anion-Exchange Membranes”, ACS Applied Materials & Interfaces, 2014, 6, 4346.
  • 100. Huilong Dong, Fenglou Gu, Min Li, Bencai Lin, Zhihong Si, Tingjun Hou, Feng Yan, Shuit-Tong Lee, and Youyong Li*, "Improving the alkaline stability of imidazolium cations by substitution", ChemPhysChem, 2014, 15, 3006.
  • 99. Xiaotian Sun, Zhiwei Feng, Liling Zhang, Tingjun Hou, Youyong Li*, "The selective interaction between silica nanoparticles and enzymes from molecular dynamics simulations", Plos One, 2014, 9, e107696, http://dx.plos.org/10.1371/journal.pone.0107696.
  • 98. Sheng Tian, Huiyong Sun, Pekchen Pan, Dan Li, Xuechu Zhen*, Youyong Li*, Tingjun Hou*, "Assessing ensemble docking-based virtual screening strategy for kinase targets by considering protein flexibility", J. Chem. Inf. Model, 2014, 54, 2664-2679.
  • 97. Jian Niu, Dong Wang, Haili Qin, Xiong Xiong, Pengli Tan, Youyong Li, Rui Liu, Xuxin Lu, Jian Wu, Ting Zhang, Weihai Ni, and Jian Jin, “Novel Polymer-free Iridescent Lamellar Hydrogel for 2D-Confined Growth of Ultrathin Au Membranes”, Nature Communications, 2014, 5, 3313.
  • 96. Jianyu Yuan, Huilong Dong, Ming Li, Xiaodong Huang, Jun Zhong, Youyong Li, Wanli Ma, "High Polymer/Fullerene Ratio Realized in Efficient Polymer Solar Cells by Tailoring of the Polymer Side-Chains", Advanced Materials, 2014, 26, 3624.
  • 95. Fenglou Gu, Huilong Dong, Youyong Li, Zhe Sun, and Feng Yan, "Base stable pyrrolidinium cations for alkaline anion exchange membrane applications", Macromolecules, 2014, 47, 6740-6747.
  • 94. Fenglou Gu, Huilong Dong, Youyong Li, Zhihong Si, and Feng Yan, “Highly Stable N3-substituted Imidazolium-based Alkaline Anion Exchange Membranes: Experimental Studies and Theoretical Calculations”, Macromolecules, 2014, 47, 208.
  • 93. Huan Dong, Hailiang Hu, Yang Liu, Jun Zhong, Guangju Zhang, Fangfang Zhao, Xuhui Sun, Youyong Li, Zhenhui Kang, “Obtaining Chiral Metal-Organic Frameworks via Prochirality Synthetic Strategy with Achiral Ligands Step-by-step”, Inorganic Chemistry, 2014, 53, 3434.
  • 92.Ruihua Liu, Hui Huang, Haitao Li, Yang Liu, Jun Zhong, Youyong Li, Shuo Zhang, and Zhenhui Kang, “Metal nanoparticle/carbon quantum dot composite as photocatalyst for high efficiency cyclohexane oxidation”, ACS Catalysis, 2014, 4, 328.
  • 91. Feng Zhou, Pengli Tan, Yong Ma, Youyong Li, Najun Li, Hua Li, Lihua Wang, Hongwei Gu, Qingfeng Xu, and Jianmei Lu "Light Emission in Water-Containing Cocrystals: the Influence of Water Molecules on the Fluorescence Properties of a Schiff-Base Molecule", Chem. Asian J. 2014, 9, 223-228.
  • 90. C. G. Jin, Y. Yang, Z. F. Wu, L. J. Zhuge, Q. Han, X. M. Wu, Y. Y. Li, Z. C. Feng, "Tunable ferromagnetic behavior in Cr doped ZnO nanorod arrays through defect engineering", J. Mater. Chem. C, 2014, 2, 2992.
  • 89. Lei Xu, Yu Zhang, Longtai Zheng, Chunhua Qiao, Youyong Li, Dan Li, Xuechu Zhen, Tingjun Hou, "Discovery of novel inhibitors targeting macrophage migration inhibitory factor via structure-based virtual screening and bioassays", J. Med. Chem., 2014, 57, 3737.
  • 88. Huiyong Sun, Youyong Li, Mingyun Shen, Sheng Tian, Lei Xu, Peichen Pan, Yan Guan, Tingjun Hou, "Assessing the Performance of MM/PBSA and MM/GBSA Methods. 5. Improved Docking Performance by Using High Solute Dielectric Constant MM/GBSA and MM/PBSA Rescoring" Phys. Chem. Chem. Phys., 2014, 16, 22035-22045.
  • 87. Huiyong Sun, Youyong Li, Sheng Tian, Lei Xu, Tingjun Hou, "Assessing the Performance of MM/PBSA and MM/GBSA Methods. 4. Accuracies of MM/PBSA and MM/GBSA Methodologies Evaluated by Various Simulation Protocols using PDBbind Data Set", Phys. Chem. Chem. Phys., 2014, 16, 16719.
  • 86. Huiyong Sun, Youyong Li, Sheng Tian, Junmei Wang, Tingjun Hou, “P-loop Conformation Governed Crizotinib Resistance in G2032R-mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape”, PLOS Computational Biology, 2014, 10, e1003729.
  • 85. Qian Zhang, Wei Zhang, Youyong Li, Junmei Wang, Jian Zhang, Tingjun Hou, "MORT: a powerful foundational library for computational biology and CADD", Journal of Cheminformatics, 2014, 6, 36.
  • 84. Yan Guan, Huiyong Sun, Youyong Li, Peichen Pan, Dan Li, Tingjun Hou, "The competitive binding between inhibitors and substrates of HCV NS3/4A protease: a general mechanism of drug resistance", Antiviral Research, 2014, 103, 60.
  • 83. Dan Li; Lei, Chen; Youyong Li; Sheng Tian; Huiyong Sun; Tingjun Hou, "ADMET Evaluation in Drug Discovery. 13. Development of in silico Prediction Models for P-glycoprotein Substrates", Molecular Pharmaceutics, 2014, 11, 716.
  • 82. Xuwen Wang, Peicheng Pan, Youyong Li, Dan Li, Tingjun Hou, “Exploring the prominent performance of CX-4945 derivatives as protein kinase CK2 inhibitors by a combined computational study”, Molecular BioSystems, 2014, 10, 1196.
  • 81. Jingyu Zhu, Peichen Pan, Youyong Li, Dan Li, Xinliang Mao, Tingjun Hou, “Theoretical Studies on Beta and Delta Isoform-specific Binding Mechanisms of Phosphoinositide 3-Kinase Inhibitors”, Molecular BioSystems, 2014, 10, 454.

2013

  • 80. Huilong Dong, Tingjun Hou, Xiaotian Sun, Youyong Li*, Shuit-Tong Lee, "The structures and properties of Si/SiOR2R core/shell quantum dots studied by density-functional tight-binding calculations" Appl. Phys. Lett., 2013, 103, 123115.
  • 79. Liang Wu, Tingjun Hou, Youyong Li*, K. S. Chan*, Shuit-Tong Lee, "First-Principles Study on Migration and Coalescence of Point Defects in Mono-layer Graphene", J. Phys. Chem. C, 2013, 117, 17066.
  • 78. Yanfei Zhao, Tingjun Hou, Youyong Li*, K. S. Chan*, Shuit-Tong Lee, “Effective increasing of optical absorption of TiO2 by introducing trivalent titanium”, Appl. Phys. Lett. 2013, 102, 171902.
  • 77. Xiaohui Yu, Tingjun Hou, Youyong Li*, Xuhui Sun*, Shuit-Tong Lee, "Effective Band Gap Reduction of Titanium Oxide Semiconductors by Codoping from First-Principles Calculations", Int. J. Quant. Chem., 2013, 113, 2546-2553.
  • 76. Zhiwei Feng, Tingjun Hou, Youyong Li*, “Transport of nucleosides in vcCNT facilitated by sodium gradients from Molecular Dynamics”, Molecular Biosystems, 2013, 9, 2142.
  • 75. Baokun Li, Tingjun Hou, Chongqian Zhang, Youyong Li*, “QSAR of pyrazole oxadiazole derivatives as s1p1 agonists studied by CoMFA, CoMSIA and docking”, Letters in Drug Design & Discovery, 2013, 10, 836.
  • 74. Ming Liu, Tingjun Hou, Zhiwei Feng, Youyong Li*, “The flexibility of P-glycoprotein for its poly-specific drug binding from molecular dynamics”, Journal of biomolecular structure and dynamics, 2013, 31, 612.
  • 73. Xiaohui Yu, Tingjun Hou, Xuhui Sun*, Youyong Li*, "Atomistic structures and phase transition of In2Se3 Nanowires studied by DFT calculations and synchrotron radiation X-ray Diffraction", Solid State Communications, 2013, 162, 28.
  • 72. Huiyong Sun, Youyong Li*, Dan Li, Tingjun Hou*, "Insight into Crizotinib Resistance Mechanisms Caused by Three Mutations in ALK Tyrosine Kinase using Free Energy Calculation Approaches", J. Chem. Inf. Model., 2013, 53, 2376.
  • 71. Peichen Pan, Lin Li, Dan Li, Youyong Li, Tingjun Hou, " Insights into susceptibility of antiviral drugs against the E119G mutant of 2009 influenza A (H1N1) neuraminidase by molecular dynamics simulations and free energy calculations", Antiviral Research, 2013, 100, 356.
  • 70. Sheng Tian, Huiyong Sun, Youyong Li, Peichen Pan, Dan Li, Tingjun Hou, "Development and evaluation of an integrated virtual screening strategy by combining molecular docking and pharmacophore searching based on multiple protein structures" , J. Chem. Inf. Model. 2013, 53, 2743.
  • 69. Peichen Pan, Mingyun Shen, Youyong Li, Huidong Yu, Dan Li, Tingjun Hou, "Advances in the development of Rho-associated protein kinase (ROCK) inhibitors" Drug Discovery Today, 2013, 18, 1323-1333.
  • 68. Qian Zhang, Junmei Wang, Ginés D. Guerrero, José M. Cecilia, José M. García, Youyong Li, Horacio Pérez-Sánchez, Tingjun Hou, "Accelerated Conformational Entropy Calculations Using Graphic Processing Unit", J. Chem. Inf. Model., 2013, 53, 2057.
  • 67. Mingyun Shen, Shunye Zhou, Youyong Li, Dan Li, Tingjun Hou, "Theoretical study on the interaction of pyrrolopyrimidine derivatives as LIMK2 inhibitors: insight into structure-based inhibitor design", Molecular Biosystems, 2013, 9, 2435.
  • 66. Sheng Tian, Youyong Li, Dan Li, Xiaojie Xu, Junmei Wang, Qian Zhang, Tingjun Hou, "Modeling compound-target interaction network ofTraditional Chinese Medicines for type II diabetes mellitus: insight for polypharmacology and drug design",J. Chem. Inf. Model., 2013, 53, 1787.
  • 65. Lei Xu, Huiyong Sun, Youyong Li, Junmei Wang, Tingjun Hou, "Assessing the Performance of MM/PBSA and MM/GBSA Methods. 3. The Impact of Force Fields and Ligand Charge Models", Journal of Physical Chemistry B, 2013, 117, 8408.
  • 64. Peichen Pan, Youyong Li, Huidong Yu, Tingjun Hou, "Molecular principle of topotecan resistance by topoisomerase I mutations through molecular modeling approaches",J. Chem. Inf. Model., 2013, 53, 997.
  • 63. Shunye Zhou, Youyong Li, Tingjun Hou, "Feasibility of using molecular docking-based virtual screening for searching dual target kinase inhibitors",J. Chem. Inf. Model., 2013, 53, 982.
  • 62. Lei Xu, Youyong Li, Huiyong Sun, Dan Li,Tingjun Hou, "Structural basis of the interactions between CXCR4 and CXCL12/SDF-1 revealed by theoretical approaches", Molecular Biosystems, 2013, 9, 2107.
  • 61. Sichao Wang, Youyong Li, Lei Xu, Tingjun Hou, "Advances on predicting hERG blockage in silico", Current Topics in Medicinal Chemistry, 2013, 13, 1317.
  • 60. Lei Xu, Youyong Li, Huiyong Sun, Xuechu Zhen, Chunhua Qiao, Sheng Tian, Tingjun Hou, "Current developments of macrophage migration inhibitory factor (MIF) inhibitors", Drug Discovery Today, 2013, 18, 592.
  • 59. Lin, Bencai; Dong, Huilong; Li, Youyong; Si, Zhihong; Gu, Fenglou; Yan, Feng, "Alkaline Stable C2-substituted Imidazolium-based Anion-Exchange Membranes", Chemistry of Materials, 2013, 25, 1858.
  • 58. Tao Yang, Zuoquan Jiang, Xiaodong, Huang, Huaixin Wei, Jianyu Yuan, Wei Yue, Youyong Li, Wanli Ma, "Design and synthesis of soluble dibenzosuberane-substituted fullerene derivatives for bulk-heterojunction polymer solar cells", Organic Electronics, 2013, 14, 2184.
  • 57. Jianyu Yuan, Xiaodong Huang, Huilong Dong, Jialing Lu, Tao Yang, Youyong Li, Aidan Gallagher, Wanli Ma, “Structure, band gap and energy level modulations for obtaining efficient materials in inverted polymer solar cells”,Organic Electronics, 2013, 14, 635.
  • 56. Jianyu Yuan, Yaping Zang, Huilong Dong, Guojun Liu, Chong-an Di, Youyong Li and Wanli Ma. "Effect of a furan p-bridge on polymer coplanarity and performance in organic field effect transistors". Polym. Chem., 2013, 4, 4199.
  • 55. Weisong Zhang, Jingjing Gong, Zhenhui, Kang, Hailiang Hu, Zhenyu Guo, Youyong Li, Yang Liu, Hengchao Zhang, Lili Zhang, Yanan Yang, Shuit-Tong Lee, “Molecule design and isomorphism synthesis towards artificial enzymes”, CRYSTENGCOMM, 2013, 15, 662.
  • 54. Mingyun Shen, Huidong Yu, Youyong Li, Pixu Li, Peichen Pan, Shunye Zhou, Liling Zhang, Shang Li, Simon Ming-Yuen Lee, Tingjun Hou, "Discovery of Rho-kinase inhibitors by docking-based virtual screening", Molecular Biosystems, 2013, 9, 1511.
  • 53. Mingyun Shen, Shunye Zhou, Youyong Li, Peichen Pan, Liling Zhang, Tingjun Hou, "Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations", Molecular Biosystems, 2013, 9, 361-374.
  • 52. Sheng Tian, Youyong Li, Junmei Wang, Xiaojie Xu, Lei Xu, Xiaohong Wang, Lei Chen, Tingjun Hou," Drug-likeness analysis of Traditional Chinese Medicines: 2. characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from Traditional Chinese Medicines", Journal of Chemoinformatics, 2013, 5, 5.
  • 51. Jianyu Yuan, Zhichun Zhai, Huilong Dong, Jing Li, Zuoquan Jiang, Youyong Li, Wanli Ma, "Efficient Polymer Soar Cells with a high open circuit voltage of 1 volt", Advanced Functional Materials, 2013, 23, 885-892.
  • 50. Zhiwei Feng, Tingjun Hou, Youyong Li*, “Docking and MD study of Histamine H4R based on the crystal structure of H1R,” Journal of Molecular Graphics and Modeling, 2013, 39, 1-12.
  • 49. Chongqian Zhang, Tingjun Hou, Zhiwei Feng, Youyong Li*, “Structure-based development of antagonists for Chemokine Receptor CXCR4”, Current Computer-aided Drug Design, 2013, 9, 60-75.

2012

  • 48. Junwei Xue, Tingjun Hou, Youyong Li*, “Optimal parameters for morphology of BHJ solar cells from simulations”, Appl. Phys. Lett. 2012, 100, 053307.
  • 47. Xiaohui Yu, Tingjun Hou, Xuhui Sun*, Youyong Li*, “The influence of defect on Mo-doped TiO2 by First Principles Studies”, ChemPhysChem, 2012, 13, 1514.
  • 46. Yaguang Zhao, Huilong Dong, Youyong Li*, Xuefeng Fu* “Living radical polymerization of acrylates and acrylamides mediated by a versatile cobalt porphyrin complex”, Chem. Commun., 2012, 48, 3506-3508.
  • 45. Shifeng Miao, Hua Li, Qingfeng Xu, Youyong Li, Shunjun Li, Najun Li, Lihua Wang, Junwei Zheng, Jianmei Lu, "Tailoring of Molecular Planarity to reduce charge injection barrier for high performance small-molecule-based ternary memory device with low threshold voltage", Advanced Materials, 2012, 24, 6210-6215.
  • 44. Yanfei Zhao, Tingjun Hou, Liang Wu, Youyong Li*, and Shuit-Tong Lee, “Density Functional Calculations on Silicon Carbide Nanostructures”, Journal of Computational and Theoretical Nanoscience, 2012, 9, 1980-1998.
  • 43. Liang Wu, Tingjun Hou, Yi Wang, Yanfei Zhao, Zhenyu Guo, Youyong Li*, Shuit-Tong Lee, “First-principles study of doping effect on the phase transition of zinc oxide with transition metal doped”, Journal of Alloys and Compounds, 2012, 541, 250.
  • 42. Huilong Dong, Tingjun Hou, Yaguang Zhao, Xuefeng Fu*, Youyong Li*, “DFT study of cobalt porphyrin complex for living radical polymerization of olefins”, Computational and Theoretical Chemistry, 2012, 1001, 51-59.
  • 41. Jingyu Zhu, Youyong Li, Huidong Yu, Liling Zhang, Xinliang Mao, Tingjun Hou, “Insight into the structural requirements of narlaprevir-type inhibitors of NS3/NS4A protease based on HQSAR and molecular field analyses”, Combinatorial Chemitry & High Throughput Screening, 2012, 15, 439-450.
  • 40. Lei Chen, Youyong Li, Huidong Yu, Liling Zhang, Tingjun Hou, “Computational models for predicting substrates and inhibitors of P-glycoprotein.”, Drug Discovery Today, 2012, 17, 343-351.
  • 39. Sichao Wang, Youyong Li, Junmei Wang, Lei Chen, Liling Zhang, Huidong Yu, Tingjun Hou, “ADME Evaluation in Drug Discovery. 12. Development of Binary Classification Models for Prediction of hERG Potassium Channel Blockage”, Molecular Pharmaceutics, 2012, 9, 996-1010.
  • 38. Tingjun Hou, Nan Li, Youyong Li, Wei Wang, “Characterization of domain- peptide interaction interface: prediction of SH3 domain-mediated protein- protein interaction network in yeast by generic structure-based models”, Journal of Proteome Research, 2012, 11, 2982-2995.
  • 37. Dongyue Cao, Junmei Wang, Rui Zhou, Youyong Li, Huidong Yu, and Tingjun Hou, “ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for Drugs”,J. Chem. Inf. Model., 2012, 52, 1132-1137.
  • 36. Lei Xu, Youyong Li, Lin Li, Shunye Zhou, Tingjun Hou, “Understanding microscopic binding of macrophage migration inhibitory factor with phenolic hydrazones by molecular docking, molecular dynamics simulations and free energy calculations”, Molecular Biosystems, 2012, 8, 2260-2273.
  • 35. Sheng Tian, Junmei Wang, Youyong Li, Xiaojie Xu, Tingjun Hou, “Drug-likeness Analysis of Traditional Chinese Medicines: 3. Prediction of Drug-likeness Using Machine Learning Approaches”, Molecular Pharmaceutics, 2012, 9, 2875. 
  • 34. Lin Li, Youyong Li, Liling Zhang, Tingjun Hou, "Theoretical studies on the susceptibility of oseltamivir against variants of 2009 A/H1N1 influenza neuraminidase",J. Chem. Inf. Model., 2012, 52, 2715-2729.
  • 33. Mingyun Shen, Sheng Tian, Youyong Li, Qian Li, Xiaojie Xu, Junmei Wang and Tingjun Hou, "Drug-likeness analysis of Traditional Chinese Medicines: 1. Property distributions of Drug-like compounds, Non-drug-like compounds and Natural compounds from Traditional Chinese Medicines", Journal of Cheminformatics, 2012, 4, 31.
  • 32. Qian Zhang, Wei Zhang, Youyong Li, Junmei Wang, Liling Zhang, Tingjun Hou, "A rule-based algorithm for automatic bond type perception", Journal of Chemoinformatics, 2012, 4, 26.
  • 31. Zhiwei Feng, Tingjun Hou, Youyong Li*, “The studies on the interactions between β2 adrenergic receptor and Gs protein by molecular dynamics simulations”,J. Chem. Inf. Model., 2012, 52, 1005- 1014.
  • 30. Zhiwei Feng, Tingjun Hou, Youyong Li*, “Structure-based drug design for dopamine D3 receptor”, Comb. Chem. High Throughput Screen, 2012, 15, 775.
  • 29. Zhiwei Feng, Tingjun Hou, Youyong Li*, “Unidirectional peristaltic movement in multisite drug binding pocket of AcrB from molecular dynamics simulations”,Molecular Biosystems 2012, 8, 2699-2709.
  • 28. Zhiwei Feng, Tingjun Hou, Youyong Li*, “Selectivity and Activation of Dopamine D3R Receptor from Molecular Dynamics”, Journal of Molecular Modeling, 2012, 18, 5051..
  • 27. Zhiwei Feng, Tingjun Hou, Youyong Li*, “Concerted movement in pH-Dependent gating of FocA from Molecular Dynamics,”J. Chem. Inf. Model., 2012, 52, 2119-2131.

2011

  • 26. Yi Wang, Tingjun Hou, Sheng Tian, Shuit-Tong Lee, Youyong Li*, “Influence of doping effect on zinc oxide by first principles studies”, J. Phys. Chem. C, 2011, 115, 7706-7716. 
  • 25. Soo-Kyung Kim, Youyong Li, Ravinder, Abrol, Jiyoung Heo, William A. Goddard, “Predicted structures and dynamics for agonists and antagonists bound to serotonin 5-HT2B and 5-HT2C receptors”, J. Chem. Inf. Model., 2011, 51, 420-433.
  • 24. Tingjun Hou, Youyong Li, Wei Wang, “Prediction of peptides binding to the PKA RIIα subunit using a hierarchical strategy”, Bioinformatics, 2011, 27, 1814-1821.
  • 23. Sheng Tian, Youyong Li, Junmei Wang, Jian Zhang, Tingjun Hou, “ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Human based on Molecular Properties and Structural Fingerprints”, Molecular Pharmaceutics, 2011, 8, 841-851.
  • 22. Jingyu Zhu, Junmei Wang, Huidong Yu, Youyong Li*, and Tingjun Hou*, “Recent Developments of In Silico Predictions of Oral Bioavailability.” Combinatorial Chemistry & High Throughput Screening, 2011, 14, 362-374.
  • 21. Tingjun Hou, Junmei Wang, Youyong Li, Wei Wang, “Assessing the performance of the MM/PBSA and MM/GBSA methods. II. The accuracy of ranking poses generated from docking”, Journal of Computational Chemistry, 2011, 32, 866-877.
  • 20. Lei Chen, Youyong Li, Qin Zhao, Hui Peng, and Tingjun Hou, “ADME Evaluation in Drug Discovery. 10. Predictions of P-Glycoprotein Inhibitors Using Recursive Partitioning and Naïve Bayesian Classification Techniques.” Molecular Pharmaceutics, 2011, 8, 889-900.
  • 19. Yang Li, Mingfa Peng, Jing Gao, Qingliang Li, Xuhui Sun* and Youyong Li*, Gang Yuan, Wen Wen and M. Meyyappan, “Thermal Phase Transformation of In2Se3 Nanowires studied by Synchrotron Radiation X-ray Diffraction and theoretical simulation”, Journal of Materials Chemistry, 2011,21,6944-6947.
  • 18. Tingjun Hou, Junmei Wang, Youyong Li, Wei Wang, “Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations”, 2011, J. Chem. Inf. Model, 51, 69-82.

2010

  • 17. Youyong Li*, Tingjun Hou “Computational simulation of drug delivery at molecular level” Current Medicinal Chemistry, 2010, 4482-4491.
  • 16. William. A. Goddard, Soo.-Kyung. Kim, Youyong Li et al. “Predicted 3D structures for adenosine receptors bound to ligands: Comparison to the crystal structure.”J. Struct. Biol. 2010, 170, 10-20.
  • 15. Soo-Kyung Kim, Youyong Li, Changmoon Park, Ravinder, Abrol, William A. Goddard, “Prediction of the 3D structure for the rat urotensin II G-protein-coupled receptor and comparison of the antagonis binding sites and binding selectivity between human and rat from atomistic simulations.” ChemMedChem, 2010, 5， 1594-1608.
  • 14. Youyong Li, Tingjun Hou, William A Goddard “Computational modeling of structure-function of G protein coupled receptors with applications for drug design.” Current Medicinal Chemistry, 2010, 17, 1167-1180.

2002 ~ 2009

  • 13. Prabal Maiti, Youyong Li, Tahir Cagin, William A Goddard, “Structure of polyamidoamide dendrimers up to limiting generations: A mesoscale description.” J. Chem. Phys. 2009, 130, 144902. 
  • 12. Jun Yang, Mahender B. Dewal, Salvatore Profeta Jr., Mark D. Smith, Youyong Li, and Linda S. Shimizu, "Origins of selectivity for the [2+2] cycloaddition of alpha, beta-unsaturated ketones within a porous self-assembled organic framework." J. Am. Chem. Soc., 2008, 130, 612-621.
  • 11. Youyong Li, William A. Goddard III, “Prediction of the structure of G-Protein Coupled Receptor with application for drug design” Pacific Symposium on Biocomputing, 2008, 13, 344-353.
  • 10. Youyong Li, Fangqiang Zhu, Nagarajan Vaidehi, William A. Goddard III, et al. “Prediction of the 3D Structure and dynamics of Human DP G-Protein Coupled Receptor bound to an agonist and an antagonist”, J. Am. Chem. Soc. 2007, 129, 10720 -10731.
  • 9. Tingjun Hou, Junmei Wang, Youyong Li, “ADME evaluation in drug discovery. 8. The prediction of intestinal absorption by a support vector machine”,J. Chem. Inf. Model., 2007, 47, 2408-2415.
  • 8. Youyong Li, William A. Goddard III, “Continuous self avoiding walk with application to the description of polymer chains”, J. Phys. Chem. B. 2006, 110, 18134-18137.
  • 7. Youyong Li, Shiang-Tai Lin, William A. Goddard III, “Efficiency of various lattices from hardball to softball: theoretical study of thermodynamic properties of dendrimer liquid crystal from atomistic simulations”, J. Am. Chem. Soc. 2004, 126, 1872-1885.
  • 6. Youyong Li, William A. Goddard III, N. S. Murthy, “Crystal structure and properties of N6/AMCC copolymer from theory and fiber XRD”, Macromolecules 2003, 36, 900-907.
  • 5. Youyong Li, William A. Goddard III, “Nylon 6 Crystal Structures, Folds, and Lamellae from Theory”, Macromolecules 2002, 35, 8440-8455.

1997 ~ 2001

  • 4. Youyong Li, Tingjun Hou, Senli Guo, Xiaojie Xu, “The Mesodyn simulation of pluronic water mixtures using the 'equivalent chain' method”, Phys. Chem. Chem. Phys., 2000, 2, 2749-2753.
  • 3. Youyong Li; Senli Guo; Xiaojie Xu. PROGRESS IN CHEMISTRY, 2000, 12(4), 361.
  • 2. Youyong Li, Tingjun Hou, Kaixuan Wang, et al. “Theoretical study of the mesoscopic morphology of the pluronics water mixtures” ACTA CHIM SINICA 2000, 58 (4): 402-406.
  • 1. Youyong Li, Tingjun Hou, Xiaojie Xu, “Mesocale Simulation of Pluronics polymer”, Computational and applied chemistry, 1999, 16, 365-366.
  • Patent: US Patent, (WO/2008/097560) “Methods for the Identification of Drugs that Interact with the G Protein Coupled Receptor DP”, Inventors: William A. Goddard III, Nagarajan Vaidehi, Youyong Li, et al.
  • Book Chapter, Yujin Ji, Xiaojuan Xu, Tingjun Hou, Youyong Li, "Characterizing the Morphology and Efficiency of Organic Solar Cells by Multiscale Simulations", S. Shankar et al. (eds.), Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile, Springer Series in Materials Science 284, https://doi.org/10.1007/978-3-030-18778-1_29
  • Book Chapter, Xiaotian Sun, Zhiwei Feng, Tingjun Hou, Youyong Li, "Computational simulation of inorganic nano-particle drug delivery systems at the molecular level" of "Computational Pharmaceutics: Application of Molecular Modeling in Drug Delivery", Wiley, 2015, http://as.wiley.com/WileyCDA/WileyTitle/productCd-1118573994.html

     

  • ORCID: http://orcid.org/0000-0002-5248-2756
  • https://www.researchgate.net/profile/Youyong_Li

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