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李有勇 教授 收藏
苏州大学     纳米科学技术学院
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个人简介

1997年获得北京大学化学系学士学位。 2000年获得北京大学化学系硕士学位。 2004年12月获得美国加州理工学院(California Institute of Technology)化学博士学位。 2005年至2006年,在加州理工学院从事博士后研究。 2006年至2009年,在美国加州理工学院材料模拟中心(Materials Simulation Center)担任生物科技和功能材料项目主任(Director)。 2009年4月进入苏州大学功能纳米与软物质研究院,受聘特聘教授,博士生导师,从事功能材料模拟,聚合物材料模拟,化学模拟的研究工作。

研究领域

计算化学,材料模拟与设计。 长期从事材料模拟与设计研究, 工作主要集中于结合不同多尺度的模拟方法(密度泛函理论、分子力场方法、介观尺度 模拟方法等)对功能纳米材料和复杂分子体系进行研究。发表学术论文 200余篇,(J. Am. Chem.Soc.(7), Nat. Commun.(2), Adv. Mater.(3)),担任中国化学会计算化学委员会 委员,担任国际期刊 Scientific Reports 编委, Frontiers in Materials 编委,曾获 宝钢奖、 IET 奖等奖项,入选江苏省第四期 333 高层次人才培养工程和苏州紧缺人才。

近期论文

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. 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, DOI: 10.1002/aenm.201700311. 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, DOI: 10.1039/C7NR00688H. (Back Cover Story) 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. 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) 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. 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. 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, Accepted. 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. 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. 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. 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, doi: 10.1002/asia.201700369. 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, Accepted. 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, Accepted. Zhixiong Zhan, Linlang Li, Sheng Tian, Xuechu Zhen Youyong Li, "Prediction of Chemical Biodegradability by Using Computational Methods" Molecular Simulation, 2017, DOI: 10.1080/08927022.2017.1328556 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, Accepted. 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. DOI: 10.1002/aenm.201601602.

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