基本信息

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裴勇
职称：教授 性别：男


职务：教授，博导 办公电话：


移动电话：隐藏 家庭电话：


家庭住址： 电子邮箱：ypnku78@gmail.com



工作学习经历

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1997-2001 湘潭大学化学学院，本科
2001-2006 南京大学化学化工学院，博士
2006-2010.9 美国University of Nebraska_Lincoln博士后
2010.9至今 湘潭大学化学学院




主讲课程

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结构化学；物理化学实验
研究方向

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理论与计算化学、金属团簇催化反应、功能纳米材料设计
主要学术成果

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主持和已完成的科研项目：
1.国家自然科学基金面上项目 2018.1 - 2021. 12
2.国家自然科学基金优秀青年基金项目2015.1 - 2017.12
3.国家自然科学基金面上项目 2014.1 - 2017.12
4.国家自然科学基金青年项目 2012.1 - 2014. 12
5.湖南省科技厅****科学基金项目 2012 - 2014
6.湖南省教育厅重点项目 2013 - 2015
7.中国石油天然气勘探开发研究院横向课题项目 2015-2017
8.湘潭大学学术带头人科研启动项目
9. “先进光电与超分子功能材料”教育部创新团队 （负责人） 2018 - 2020

近年来的代表研究论文：
1） Ma, Zhongyun and Pei, Yong*Thiolate-Protected Gold Nanoclusters: Structural Prediction and the Understandings of Electronic Stability from First Principles SimulationsWIREsComputationalMolecularScience 2017, accepted. (Invited Review)
2） Wang, Pu; Sun, Xiangxiang; Liu, Xia; Xiong, Lin; Ma, Zhongyun; Pei, Yong*Theoretical Predictions of a New ~14 kDa Core-Mass Thiolate-Protected Gold Nanoparticle: Au₆₈(SR)₃₆J. Phys. Chem. Lett. 2017, 8, 1248?1252.
3） Xiong, Lin; Peng, Baoliang; Ma, Zhongyun; Wang, Pu; Pei, Yong*A Ten-Electron (10e) Thiolate-Protected Au₂₉(SR)₁₉ Cluster: Structure Prediction and A ‘Gold-Atom Insertion, Thiolate-Group Elimination’ MechanismNanoscale, 2017, 9, 2895-2902.
4） Ma, Zhongyun; Wang, Pu; Pei, Yong*Geometric Structure, Electronic Structure and Optical Absorption Properties of One-Dimensional Thiolate-Protected Gold Clusters Containing a Quasi-Face-Centered-Cubic (quasi-fcc) Au-core: A Density-Functional Theoretical StudyNanoscale 2016, 8, 17044-17054.
5） Ma, Zhongyun; Wang, Pu; Zhou, Guang; Tang, Jiang; Li, Hengfeng; Pei, Yong*Correlating the structure and Optical Absorption Properties of Au₇₆(SR)₄₄ ClusterJ. Phys. Chem. C2016,120,13739-13748.
6） Jin,Shan; Wang, Shuxin; Xiong, Ling;Zhou,Meng; Chen, Shuang;Du, Wenjun; Xia, Andong;Pei, Yong*;Zhu, Manzhou*Two Electron Reduction: From Quantum Dots to Metal NanoclustersChem. Mater. 2016, 28, 7905?7911.
7） Chen,Shuang; Xiong, Lin; Wang, Shuxin; Ma,Zhongyun; Jin,Shan; Sheng, Hongting; Pei, Yong*; Zhu, Manzhou*Total Structure Determination of Au₂₁(S-Adm)₁₅and Geometrical/Electronic Structure Evolution of Thiolated Gold Nanoclusters J. Am. Chem. Soc.2016,138,10754-10757.
8） Zeng, Wenping，Tang, Jian，Wang, Pu，Pei, Yong*Density functional theory (DFT) studies of CO oxidation reaction on M₁₃ and Au₁₈M clusters (M = Au, Ag, Cu, Pt and Pd): the role of co-adsorbed CO moleculeRSC Adv. 2016, 6, 55867 – 55877.
9） Liu, Chunyan; Pei, Yong*; Sun, Hui; Ma, Jing*The Nucleation and Growth Mechanism of Thiolate-Protected Au NanoclustersJ. Am. Chem. Soc.2015,137,15809-15816.
10） Zhong, Juan; Tang, Xianqiong; Tang, Jian; Pei, Yong*Density Functional Theory Studies on Structure, Ligand Exchange, and Optical Properties of Ligand-Protected Gold Nanoclusters: Thiolate versus SelenolateJ. Phys. Chem. C2015,119, 9205-9214.
10） Pei, Yong*; Tang, Jian; Tang, Xianqiong; Huang, Yunqing, Zeng, Xiao ChengNew Structure Model of Au₂₂(SR)₁₈: Bitetrahederon Golden Kernel Enclosed by [Au₆(SR)₆] Au(I) ComplexJ. Phys. Chem. Lett.2015,6,1390-1395.
11）Zhou, Meng; Zhong, Juan; Wang, Shuxin; Guo, Qianjin, Zhu, Manzhou, Pei Yong*; Xia, Andong*Ultrafast Relaxation Dynamics of Luminescent Rod-Shaped, SilverDoped Ag_xAu_25-x ClustersJ. Phys. Chem. C2015,119,18790-18797.
12）Chen, Shuang; Wang, Shuxin; Zhong, Juan; Song, Yongbo; Zhang, Jun; Sheng, Hongting; Pei, Yong*, Zhu Manzhou*The Structure and Optical Properties of the [Au₁₈(SR)₁₄] NanoclusterAngew Chem. Int. Ed.2015, 54, 3145-3149.
14）Wang, Pu; Tang, Xianqiong; Tang, Jian; Pei, Yong*Density Functional Theory (DFT) Studies of CO Oxidation over Nanoporous Gold: Effects of Residual Ag and CO Self-Promoting OxidationJ. Phys. Chem. C2015, 119, 10345-10354.
15）Lin, Sisi; Pei, Yong*Mechanistic Insight into the Styrene-Selective Oxidation on Subnanometer Gold Clusters (Au₁₆-Au₂₀, Au₂₇, Au₂₈, Au₃₀ and Au₃₂-Au₃₅): A Density Functional Theory StudyJ. Phys. Chem. C2014,118,20346-20356.
16） Mao, Keke，Li, Lei，Zhang, Wenhua*, Pei, Yong, Zeng, Xiao Cheng; Wu, Xiaojun*; Yang, Jinlong A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O₂ ActivationScientific Report 2014, 4, 5441.
17）Liu, Chunyan; Tan, Yingzi; Lin, Ssis; Li, Hui; Wu, Xiaojun; Li, Lei; Pei, Yong*; Zeng, Xiao Cheng*CO Self-Promoting Oxidation on Nanosized Gold Clusters: Triangular Au₃ Active Site and CO Induced O–O Scission J. Am. Chem. Soc. 2013, 135, 2583-2595. (该工作被美国化学会Chemical & Engineering News作为研究亮点报道)
18）Li, Lei; Gao, Yi; Li, Hui; Zhao, Yu; Pei, Yong*; Chen. Zhongfang; Zeng, Xiao Cheng*CO Oxidation on TiO₂ (110) Supported Subnanometer Gold Clusters: Size and Shape EffectsJ. Am. Chem. Soc. 2013, 135, 19336-19346.
19）Pei, Yong*; Lin, Sisi; Su, Jingcang; Liu, ChunyanStructure Prediction of Au₄₄(SR)₂₈: A Chiral Superatom ClusterJ. Am. Chem. Soc. 2013,135, 19060-19063.
20）Liu, Chunyan; Lin, Sisi; Pei, Yong*; Zeng, Xiao ChengSemiring Chemistry of Au₂₅(SR)₁₈: Fragmentation Pathway and Catalytic Active siteJ. Am. Chem. Soc. 2013,135, 18067-18079.
21）Pei, Yong*; Pal, Rhitankar; Liu, Chunyan; Gao, Yi; Shao, Nan; Zeng, Xiao Cheng*Interlocked Catenane-Like Structure Predicted in Au₂₄(SR)₂₀: Implication to Structural Evolution of Thiolated Gold Clusters from Homoleptic Gold(I) Thiolates to Core-Stacked NanoparticlesJ. Am. Chem. Soc. 2012, 134, 3015-3024. （已被引用84次）
22）Pei, Yong*; Zeng, Xiao Cheng*Investigating Structural Evolution of Thiolate Protected Gold Clusters from the First-PrinciplesNanoscale 2012, 4, 4054-4074. (Invited Review, 项目申请人受邀担任此期的客座编辑，Guest Editor) （已被引用124次）
23）Wang, Liming; Pal, Rhitankar; Pei, Yong; Wang, Lai-Sheng. *; Zeng, Xiao Cheng*Unraveling the Mechanisms of O₂ Activation by Size-Selected Gold Clusters: Transition from Superoxo to Peroxo ChemisorptionJ. Am. Chem. Soc. 2012, 134, 9438-9441. (该工作被美国化学会Chemical & Engineering News作为研究亮点报道)

个人简介

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1978年出生，湘潭大学化学学院副院长、“先进光电与超分子功能材料”教育部创新团队负责人、湖南科技大学“理论有机化学与功能分子”教育部重点实验室兼职教授、湘潭大学学术委员会委员。
主要研究方向为低维材料如半导体表面自组装单层分子膜、配体保护贵金属原子簇及纳米线、类石墨烯二维纳米材料等的结构、电子结构、自组装行为、光学、磁性和催化性质的理论计算研究，与实验课题组开展了广泛的合作。发表SCI收录研究论文90余篇，在影响因子大于10的化学和材料top期刊如J.Am.Chem.Soc.(影响因子 13.038，18篇),ACSNano，NanoLett.、Angew Chem. Int. Ed上发表研究论文32篇。论文他引用次数2000余次。多篇研究论文被美国化学会Chemical&EngineeringNews, NatureNanotechnology和美国国家科学基金会旗下science360.gov网站作为研究亮点报道。任JACS, JPC, PCCP等期刊的通讯评审人，2012年10月获邀担任英国皇家化学会Nanoscale期刊客座编辑。
课题组现有博士后1人，在读博士研究生4人、硕士研究生11人。毕业研究生中多人获得研究生国家奖学金、湘潭大学校长奖特等奖、湖南省优秀毕业研究生等荣誉称号。本课题组长期欢迎有志于从事计算化学研究生，提供优异的学习环境和场地。