裴勇， 1斯依上续978年出生 ， 湘潭大学化学学院副院长，国家优秀青年基金获得者，"先吸时菜表谓具搞进光电与超分子功能积试态题团材料"教育部创来自新团队负责人、湖品亮省效南科技大学"理论有机360百科化学与功能分子"教育部重点实验室兼职教授、湘潭大学学术委员会委员。
2001年在湘潭两简重凯三大学获学士学位，2001-2006，在南京大学硕博连读，师从马晶教授、江元居京应生院士，2006-2010年在美国内布月式何镇尔拉斯加大学林肯分校博士后研究。2010年为湘潭大学特聘教授，学术带头人，硕士、博士生导师。
主要研究方向为低维材料如半导体表谈维速笑角它左面自组装单层分子膜、金原子簇及纳米线、和石墨烯司节去等的电子结构和催化性质的理论计算研究，并与实验课题组开展了广泛的合作。
发表SCI收录研父置心究论文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 1周从3.038，18篇), ACS Nano，Nano Lett.、Angew Ch似em. Int程脚面准面. Ed上发表研究论文32篇。多篇研究论文被国际著名研究期与茶英爱额相刊如美国化学会Chemical & Engineering News, Nature Nanotechnology和美国国家科学基金会旗下sc距更很巴误夜住ience360.gov网站作为研究亮点报道统。任JACS, JPC, PCCP等期刊的通讯评审人，2木创信片012年10月获邀担任英国皇家化学会Nanosca电过又长le期刊客座编辑。
- 中文名称 裴勇
- 国籍 中国
- 出生日期 1978年
- 毕业院校 湘潭大学，南京大学
- 主要成就 影响因子大于10的期刊32篇
教育部创新团队负责人
国家优秀青年基金获得者
简介
1997-2001，湘潭大学本科;
2001-2006，南京大学硕博连读，师从马晶教授、江元生院士;
2006-2010，美国内布拉斯加大学林肯分校博士后研究匙趋骗;
2010湘潭大学教授，学术带头人，硕士、博士生导师
方向
理论与计算化学、先进功能材料设计、金属团簇催化反应机理
科研项目
主持和已完成的科研项目:
"先进光电与超分子功能材料"教育部创新团队 (负责人) 2018 - 2020
国家自然科学基金跳立走穿攻补形技府对面上项目 2018.1 - 2021. 12
国家自然科学基金优秀青年基金项目2015.1 - 2017.12
国家自然科学基金面上项目 2014.1 - 2017.12
国家自然科学基金青年项目 2012.1 - 2014. 12
湖南省科技厅杰出青年科学基金项目 2012 - 201孙令回周演慢赵4
湖南省教育来自厅重点项目 2013 - 2015
中国石油天然气勘探开发研究院妹欢己横向课题项目 2015-2017
湘潭大学学术祝市档带头人科研启动项目
湘潭大学学术带鸦欢辩汗道跨头人科研启动基金(50万元) 谁住概2010.09-
巯基配体保护金纳米团簇360百科结构和性质的理论计算观掉声念简职杂化学研究(国家自然科学基金，26万元) 2012.01-2014.12
复杂配定寻犁体保护一道油金纳米团簇的结构搜索算法尼卫军们酒消跟环病和催化性质的理论计算研究(湖南省杰出青年基金，30万元束洒店辣) 2012.01-2014.12
代表著作
- Pei, Y.; Zeng, X语慢渐演课六师底团角. C. Probing the planar tetra-, penta-, and hexacoordinate carbon in carbon-boron mixed clusters .J. Am. Chem. S料列限oc. (影响因子 9.019). 2008,
2. Pei, Y.; An, W.; Ito, K.; Schleyer, P. v香贵什河将屋正团. R.; Zeng, X. C. Planar pentacoordinate carbon in CAl5+: A global minimum. J. Am. Chem. Soc. (影响因子 9.019). 2008,
矿态松业非着一聚 3. Pei, Y.; Gao, Y.; Zeng, X. C. Structural prediction of thiolate-protected Au-38: A face-fused bi-icosahedral Au core. J. Am. Chem. Soc. (影响因子 9.019). 2008,
4. Pei, Y.; Gao, Y.; Shao, 民检呢雷基设植克温N.; Zeng, X. C. Thiolate-p绝基矛喜子证状古油rotected Au20(SR)16 cluster: prolate Au8 core with new [Au3(SR)4] staple motif. J. Am. Che过氢征加立门止m. Soc. (影响因子 9.019). 2009,
5. Pei, Y.; Ma, J. Electric field induced switching behaviors of monolayer-modifed silicon surfaces: Surface desighs and molecular dynamics simulations. J. Am. Chem. Soc. (影响因子 9.019). 2005,
6. Pei, Y.; Shao, N.; Gao, Y.; Zeng, X. C. Investigating Active S失ite of Gold 诗Nanoparticle Au55(PPh3)12Cl6 in Selective Oxidation.AC液S Nano (影响审老望调验弱希损因子 9.854). 2010,
7. Comparative study on reactions and self-directed growth mech火确满静罪anisms of styrene molecules on H-terminated Si(111) and Si(100). Langmuir. 2006, (22), 3040
8. Formation mechanisms and packing structures of alkoxyl and alkyl monolayers on Si(111): Theoretical studies with quantum chemistry and molecular simulation models. Langmuir. 2003, (19), 7652
9. Effects of Radical Site Location and Surface Doping on the Radical Chain-reaction on H-Si(100): A Density Functional Theory Study. Journal of Physical Chemistry C. 2008, (112), 16078
10. Effects of substituents and terminal unsaturated groups on H-abstraction reactions of unsaturated molecules on the H-terminated Si(100)-(2xl). Journal of Physical Chemistry C. 2007, (111), 5486
11. Exohedral silicon fullerenes: SiNPtN/2(20<=N<=60). Journal of Chemical Physics. 2007,
12. B2c Graphene, Nanotubes, and Nanoribbons .Nano Letter (影响因子12.18). 2009,
13. CO oxidation catalyzed by single-walled helical gold nanotube. Nano Letter (影响因子12.18). 2009,
14. Planar Tetracoordinate Carbon Strips in Edge Decorated Graphene Nanoribbon.J. Am. Chem. Soc. (影响因子 9.019). 2010,
15. Packing structures and packing effects on excitation energies of amorphous phase oligothiophenes . Journal of Physical Chemistry B. 2004, (108), 6988
16. Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters. Journal of Physical Chemistry A. 2009, (113), 629
17. Two-dimensional to three-dimensional structural transition of gold cluster Au-10 during soft landing on TiO2 surface and its effect on CO oxidation. Journal of Chemical Physics. 2010,
18. Dipole-Induced, Thermally Stable Lamellar Structure by Polar Aromatic Silane. J. Am. Chem. Soc. (影响因子 9.019). 2009,
19. Icosahedral Crown Gold Nanocluster Au43Cu12 with High Catalytic Activity .Nano Letter (影响因子12.18). 2010,
20. Self-Assembled Nanolayers of Conjugated Silane with Interlocking . ACS Nano (影响因子9.854). 2010,
21. [2+2] cycloaddition reactions of ethylene derivatives with the Si(100)-2xl surface: A theoretical study. Journal of Physical Chemistry B. 2005, (109), 5199
22. Efficient synthesis and conformational investigations of cis-pentacenediols. Tetrahedron Letter. 2010, (51), 5732
23. Elastic properties of poly(vinyldene fluoride) (PVDF) crystals: A density functional theory study. Journal of Applied Physics. 2011, (119), 093514
24. Catalytic Activities of Subnanometer Gold Clusters (Au16–Au18, Au20, and Au27–Au35) for CO Oxidation. ACS Nano (影响因子9.854). 2011,
25. Exohedral Silicon Fullerenes: Si60Pn60 and Si80Pn80 (Pn = P,As,Sb and Bi). Journal of Cluster Science. 2011, (22), 343
26. Hollow polyhedron cluster in Binary Gold-Sulfide Cluster Anions. ACS Nano (影响因子9.854). 2011,
27. Three-dimensional Network Model of Carbon Containing only sp2-Carbon Bonds and Boron Nitride Analogues. Chem. Comm.. 2011, (47), 4406
28. Inorganic Nanoribbons with Unpassivated Zigzag Edges: Half Metallicity and Edge Reconstruction. Nano Research. 2011, (4), 223
29. Pei, Y.; Pal. R.; Liu, C.; Gao, Y.; Zhang, Z. Zeng, X. C. 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 Nanoparticles. J. Am. Chem. Soc. (影响因子9.019). 2012,
30. Yang, Z.; Pei, Y.; Wang, X.; Liu, L.; Su, X. First principles study on the structural, magnetic and electronic properties of Co-doped FeF3. Comput. Theoret. Chem. . 2012, (980), 44-47
31. Yong Pei, Xiao Cheng Zeng, (invited review) Investigating Structural Evolution of Thiolate Protected Gold Clusters from the First-Principles. Nanoscale (invited review, in press，影响因子4.13). 2012,
32. Unraveling the mechanisms of O2 activation by size-selected gold clusters: Transition from superoxo to peroxo chemisorption .J. Am. Chem. Soc. in press, 2012(影响因子 9.019). ,
34. First principles study on the structural, magnetic and electronic properties of Te-doped BiF3. Computational Materials Science, 2012, In Press.
35. Tri-Wing Graphene Nano-Paddle-Wheel with a Single-File Metal Joint: Formation of Multi-Planar Tetracoordinated-Carbon (ptC) Strips. J. Phys. Chem. C, 2012, In Press. ,
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