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LI Qunxiang, Professor Theoretical and Computational Sciences
Name:  Qunxiang Li (李群祥)
Born:   Oct. 1970, Hunan
Address: Department of Chemical Physics
University of Science and Technology of China (USTC)
Anhui, Hefei 230026, P. R. China
Tel: 86-551-63607125(O)
Fax: 86-551-63603748
 2008.01-now Professor, Department of Chemical Physics, Hefei National Laboratory for Physical Sciences at Microscale, USTC
 2001.08-2007.12 Associate Professor, Department of Chemical Physics, Hefei National Laboratory for Physical Sciences at Microscale, USTC
 1999.09-2001.07 Postdoctoral fellow, Open Laboratory of Bond Selective Chemistry, USTC
 1999 Ph. D in Condensed Matter Physics, The Central of Fundamental Physics, USTC
 1993 B.S. in Physics, Central China Normal University
 During the past years, he visit or worked at the Hong Kong Polytechnic University(1999.2-4), The University of Tokyo (Japan, 2001.11-2002.3), National Institute for Material Sciences (Japan,2005.2-2006.3), and Nanyang Technological Unversity (Singapore,2008.2-3) as a visiting scholar or scientist.
 Computational and theoretical chemical physics, including :
1) Single-molecule chemical physics: Theoretical investigation of the chemical physics properties of single molecules on surfaces via first-principles calculations.
2) Molecular electronics: Understanding the transport properties through single molecular junctions and designing model molecular devices.
3) Computational material physics: Theoretical characterization of low-dimensional novel low-dimensional materials (i.e. graphene) and methodology development.
4) Scanning probe microscopy theory: STM image, dI/dV mapping and STS simulations.
1) Theoretical characterization and manipulation of the spin-polarized transport properties of single-molecule spintronic devices (NSFC)
2) Theoretical study on inelastic electron tunneling spectroscopy of single molecules (NSFC)
3) Precise dopant control of oxide semiconductors for enhanced photoreactivity(Key NSFC Project, Prof. Zhenyu Zhang).
4) Theory and simulation on quantum design and manipulation at molecular scale, (National Key Basic Research Program, Prof. Jinlong Yang).
 1) J. G. Hou*, Jinlong Yang, Haiqian Wang, Qunxiang Li, ChangganZeng, Lanfeng Yuan, Dongmin M. Chen, and Qingshi Zhu, Topology of two-dimensional C60  domains, Nature 409 (2001), 304.
 2) Aidi Zhao, Qunxiang Li, Lan Chen, Hongjun Xiang, Weihua Wang, Shuan Pan, Bing Wang, Xudong Xiao, Jinlong Yang*, J. G. Hou*, and Qingshi Zhu, Controlling the Kondo Effect of an adsorbed magnetic ion through its chemical bonding, Science, 309(2005), 1542.
 3) Qunxiang Li, and X. Hu, First-principles study of Ni2P (0001) surface, Phys. Rev. B 74, 035414 (2006).
 4) Zhengfei Wang, Qunxiang Li*, HuaixiuZheng, HaoRen, Haibin Su, Qinwei Shi, and Jie Chen*, Tuning the electronic structure of graphenenanoribbons through chemical edge modification: A theoretical study, Phys. Rev. B 75, 113406 (2007).
 5) Lian Sun, Qunxiang Li*, HaoRen, Haibin Su, Q. W. Shi, and Jinlong Yang*, Strain effect on energy gaps of armchair graphenenanoribbons, J. Chem. Phys. 129, 074704 (2008).
 6) KeXu, Jing Huang, Shulai Lei, Haibin Su, Freddy Y. C. Boey, Qunxiang Li*, and Jinlong Yang, Efficient organometallic spin filter based on Europium–cyclo- octatetraene wire, J. Chem. Phys. 131, 104704 (2009).
 7) Jing Huang, Qunxiang Li*, KeXu, Haibin Su, and Jinlong Yang, Electronic, magnetic and transport properties of Fe-COT clusters: A theoretical study, J. Phys. Chem. C 114, 11946 (2010).
 8) Jing Huang, KeXu, Shulai Lei, Haibin Su, Shangfeng Yang, Qunxiang Li* and Jinlong Yang, Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance, J. Chem. Phys. 136, 064707 (2012).
 9) Xinyao Yu, Qiangqiang Meng, Tao Luo, Yong Jia, Bai Sun, Qunxiang Li*, Jin-Huai Liu, and Xingjiu Huang*,Facet-dependent electrochemical properties of Co3O4nanocrystals toward heavy metal ions, Sci. Rep. 3, 2886 (2013).
 10) Shulai Lei, Wei Feng, Bin Li, Qunxiang Li*, Aidi Zhao*, Bing Wang, Jinlong Yang, J. G. Hou, Orbital-selective single molecule rectifier on graphene-covered Ru(0001) surface, Appl. Phys. Lett. 102, 163506 (2013).

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