裴勇

1997-2001，湘潭大學本科；

2001-2006，南京大學碩博連讀，師從馬晶教授、江元生院士；

2006-2010，美國內布拉斯加大學林肯分校博士后研究；

2010至今湘潭大學教授，學術帶頭人，碩士、博士生導師；

2012年10月獲邀擔任英國皇家化學會Nanoscale期刊客座編輯。

理論與計算化學、金屬團簇催化反應、功能納米材料設計

主要研究低維材料如半導體表面自組裝單層分子膜、金原子簇及納米線、和石墨烯等的電子結構和催化性質的理論計算研究，並與實驗課題組開展了廣泛的合作。發表SCI收錄研究論文90餘篇，在影響因子大於10的化學和材料top期刊如J.Am.Chem.Soc.(影響因子13.038，18篇)，ACSNano，NanoLett.、Angew Chem. Int. Ed上發表研究論文32篇。論文他引用次數200餘次。多篇研究論文被國際著名研究期刊如美國化學會Chemical & Engineering News，Nature Nanotechnology和美國國家科學基金會旗下網站作為研究亮點報道。目前任JACS，JPC，PCCP等期刊的通訊評審人，2011年10月獲邀擔任英國皇家化學會Nanoscale期刊客座編輯。

主持和已完成的科研項目：

“先進光電與超分子功能材料”教育部創新團隊（負責人）2018-2020

國家自然科學基金面上項目2018.1-2021.12

國家自然科學基金優秀青年基金項目2015.1-2017.12

國家自然科學基金面上項目2014.1-2017.12

國家自然科學基金青年項目2012.1-2014.12

湖南省科技廳傑出青年科學基金項目2012-2014

湖南省教育廳重點項目2013-2015

中國石油天然氣勘探開發研究院橫向課題項目2015-2017

湘潭大學學術帶頭人科研啟動項目

湘潭大學學術帶頭人科研啟動基金（50萬元）2010.09

巰基配體保護金納米團簇結構和性質的理論計算化學研究（國家自然科學基金，26萬元）2012.01-2014.12

複雜配體保護金納米團簇的結構搜索演演算法和催化性質的理論計算研究（湖南省傑出青年基金，30萬元）2012.01-2014.12

● ● Pei, Y.; Zeng, X. C. Probing the planar tetra-, penta-, and hexacoordinate carbon in carbon-boron mixed clusters .J. Am. Chem. Soc.(影響因子9.019).2008

● ● 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.(影響因子9.019).2008

● ● 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.(影響因子9.019).2008

● ● 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.(影響因子9.019). 2009

● ● Pei, Y.; Ma, J. Electric field induced switching behaviors of monolayer-modifed silicon surfaces: Surface desighs and molecular dynamics simulations. J. Am. Chem. Soc.(影響因子9.019).2005

● ● Pei, Y.; Shao, N.; Gao, Y.; Zeng, X. C. Investigating Active Site of Gold Nanoparticle Au55(PPh3)12Cl6 in Selective Oxidation. ACS Nano(影響因子9.854).2010

● ● Comparative study on reactions and self-directed growth mechanisms of styrene molecules on H-terminated Si(111) and Si(100). Langmuir. 2006,(22),3040

● ● 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

● ● 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

● ● 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

● ● Exohedral silicon fullerenes: SiNPtN/2(20<=N<=60). Journal of Chemical Physics.2007

● ● B2c Graphene, Nanotubes, and Nanoribbons . Nano Letter（影響因子12.18）.2009

● ● CO oxidation catalyzed by single-walled helical gold nanotube. Nano Letter （影響因子12.18）. 2009,

● ● Planar Tetracoordinate Carbon Strips in Edge Decorated Graphene Nanoribbon. J. Am. Chem. Soc. (影響因子9.019). 2010,

● ● Packing structures and packing effects on excitation energies of amorphous phase oligothiophenes . Journal of Physical Chemistry B. 2004, (108), 6988

● ● Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters. Journal of Physical Chemistry A. 2009, (113), 629

● ● 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,

● ● Dipole-Induced, Thermally Stable Lamellar Structure by Polar Aromatic Silane. J. Am. Chem. Soc. (影響因子9.019). 2009,

● ● Icosahedral Crown Gold Nanocluster Au43Cu12 with High Catalytic Activity . Nano Letter （影響因子12.18）. 2010,

● ● Self-Assembled Nanolayers of Conjugated Silane with Interlocking . ACS Nano （影響因子9.854）. 2010,

● ● [2+2] cycloaddition reactions of ethylene derivatives with the Si(100)-2xl surface: A theoretical study. Journal of Physical Chemistry B. 2005, (109), 5199

● ● Efficient synthesis and conformational investigations of cis-pentacenediols. Tetrahedron Letter. 2010, (51), 5732

● ● Elastic properties of poly(vinyldene fluoride) (PVDF) crystals: A density functional theory study. Journal of Applied Physics. 2011, (119), 093514

● ● Catalytic Activities of Subnanometer Gold Clusters (Au16–Au18, Au20, and Au27–Au35) for CO Oxidation. ACS Nano （影響因子9.854）. 2011,

● ● Exohedral Silicon Fullerenes: Si60Pn60 and Si80Pn80 (Pn = P,As,Sb and Bi). Journal of Cluster Science. 2011, (22), 343

● ● Hollow polyhedron cluster in Binary Gold-Sulfide Cluster Anions. ACS Nano （影響因子9.854）. 2011,

● ● Three-dimensional Network Model of Carbon Containing only sp2-Carbon Bonds and Boron Nitride Analogues. Chem. Comm.. 2011, (47), 4406

● ● Inorganic Nanoribbons with Unpassivated Zigzag Edges: Half Metallicity and Edge Reconstruction. Nano Research. 2011, (4), 223

● ● 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. （影響因子9.019）. 2012,

● ● 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

● ● Yong Pei, Xiao Cheng Zeng, (invited review) Investigating Structural Evolution of Thiolate Protected Gold Clusters from the First-Principles. Nanoscale (invited review, in press，影響因子4.13）. 2012,

● ● Unraveling the mechanisms of O2 activation by size-selected gold clusters: Transition from superoxo to peroxo chemisorption . J. Am. Chem. Soc. in press, 2012(影響因子9.019). ,

● ● First principles study on the structural, magnetic and electronic properties of Te-doped BiF3. Computational Materials Science, 2012, In Press.

● ● 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. ,

● ● 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)

● ● 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.

● ● 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. 

● ● 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.

● ● 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.

● ● 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）

● ● Pei, Yong*; Zeng, Xiao Cheng* Investigating Structural Evolution of Thiolate Protected Gold Clusters from the First-Principles Nanoscale 2012, 4, 4054-4074.(Invited Review，項目申請人受邀擔任此期的客座編輯，Guest Editor)（已被引用124次）