裴勇（湘潭大学特聘教授）

人物经历

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；^[2]

2006-2010，美国内布拉斯加大学林肯分校博士后研究；

2010至今湘潭大学教授，学术带头人，硕士、博士生导师；

2012年10月获邀担任英国皇家化学会Nanoscale期刊客座编辑。^[2]

主要成就

理论与计算化学、金属团簇催化反应、功能纳米材料设计^[2]

主要研究低维材料如半导体表面自组装单层分子膜、金原子簇及纳米线、和石墨烯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200余次。多篇研究论文被国际著名研究期刊如美国化学会Chemical & Engineering News，Nature Nanotechnology和美国国家科学基金会旗下网站作为研究亮点报道。目前任JACS，JPC，PCCP等期刊的通讯评审人，2011年10月获邀担任英国皇家化学会Nanoscale期刊客座编辑。

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2012-2014

湖南省教育厅重点项目2013-2015

中国石油天然气勘探开发研究院横向课题项目2015-2017

湘潭大学学术带头人科研启动项目

湘潭大学学术带头人科研启动基金（50万元）2010.09

巯基配体保护金纳米团簇结构和性质的理论计算化学研究（国家自然科学基金，26万元）2012.01-2014.12

复杂配体保护金纳米团簇的结构搜索算法和催化性质的理论计算研究（湖南省杰出青年基金，30万元）2012.01-2014.12

其他作品

1. Pei, Y.; Zeng, X. C. Probing the planar tetra-, penta-, and hexacoordinate carbon in carbon-boron mixed clusters .J. Am. Chem. Soc.(影响因子9.019).2008
2. Pei, Y.; An, W.; Ito, K.; Schleyer, P. v. R.; Zeng, X. C. Planar pentacoordinate carbon in CAl5+: A global minimum.

   J. Am. Chem. Soc.

   (影响因子9.019).2008
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, N.; Zeng, X. C. Thiolate-protected Au20(SR)16 cluster: prolate Au8 core with new [Au3(SR)4] staple motif.

   J. Am. Chem. 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 Site of Gold Nanoparticle Au55(PPh3)12Cl6 in Selective Oxidation.

   ACS Nano

   (影响因子9.854).2010
7. Comparative study on reactions and self-directed growth mechanisms 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). ,
33. First principles study on the structural, magnetic and electronic properties of Te-doped BiF3. Computational Materials Science, 2012, In Press.
34. 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. ,
35. Ma, Zhongyun and 

    Pei, Yong* 

    Thiolate-Protected Gold Nanoclusters: Structural Prediction and the Understandings of Electronic Stability from First Principles Simulations 

    WIREs Computational Molecular Science 2017, accepted. (Invited Review)

36. Liu, Chunyan; 

    Pei, Yong*

    ; Sun, Hui; Ma, Jing* The Nucleation and Growth Mechanism of Thiolate-Protected Au Nanoclusters 

    J. Am. Chem. Soc. 2015

    , 137, 15809-15816.

37. Pei, Yong

    *; Tang, Jian; Tang, Xianqiong; Huang, Yunqing, Zeng, Xiao Cheng New Structure Model of Au22(SR)18: Bitetrahederon Golden Kernel Enclosed by [Au6(SR)6] Au(I) Complex 

    J. Phys. Chem. Lett. 2015

    , 6, 1390-1395. 
38. 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 Study 

    J. Phys. Chem. C  2014

    , 118, 20346-20356.

39. Pei, Yong*;

     Lin, Sisi; Su, Jingcang; Liu, Chunyan Structure Prediction of Au44(SR)28: A Chiral Superatom Cluster 

    J. Am. Chem. Soc. 2013

    , 135, 19060-19063.

40. 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 Nanoparticles 

    J. Am. Chem. Soc.

     

    2012

    , 134, 3015-3024.（

    已被引用84次

    ）

41. Pei, Yong*

    ; Zeng, Xiao Cheng* Investigating Structural Evolution of Thiolate Protected Gold Clusters from the First-Principles 

    Nanoscale 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

    ）^[2]