Name:  Qunxiang LI (李群祥)

Born:  Oct, 1970, Hunan, P. R. China

Address: Department of Chemical Physics,University of Science and Technology of China,Hefei,Anhui 230026,P.R.China 

Tel:  86-551-63607125

2008.1-　　　　 Professor, Department of Chemical Physics & Hefei National Laboratory of Physical Sciences at the

　　　　　　　　Microscale USTC

2001.7-2007.12　Associate Professor, Department of Chemical Physics & Hefei National Laboratory of Physical

　　　　　　　　Sciences at the Microscale, USTC

1999.8-2001.6　 Postdoctoral Fellow, USTC

1996.9-1999.7　 Ph.D. University of Science and Technology of China ( USTC)

1993.9-1996.7　 M.S. CCNU

During the past years, 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) working as a visiting scholar or scientist.

RESEARCH INTERESTS

1) Single-molecule chemical physics: Theoretical investigation of the chemical physics properties of single molecules

　  on surfaces via first-principles calculations, including  scanning probe microscopy theory, such as STM image, dI/dV

　  mapping and STS simulations

2) Molecular electronics and spintronics: Understanding the transport properties through single molecular junctions

　  and designing model molecular devices

3) Computational material physics: Theoretical characterization of novel low- dimensional materials (i.e. graphene)

　  and methodology development

CURRENT RESEARCH PROJECTS

1) Theoretical characterization and manipulation of the spin-polarized transport properties of single-molecule spintroni

　 -c devices, National Natural Science Foundation

2) Theory and simulation of quantum design and manipulation at molecular scale, National Key Basic Research

　 Program, MOST

3) Precise dopant control of oxide semiconductors for enhanced photoreactivity, The Key Grand of National Natural

　 Science Foundation of China

4) New physics and multi-filed control of low-dimensional magnetic coupling systems, National Key Basic Research Program, MOST 

REPRESENTATIVE PUBLICATIONS (Research ID: D-3705-2009)

1)  Xinyao Yu, Qiangqiang Meng, Tao Luo, Yong Jia, Bai Sun, Qunxiang Li*, Jin-Huai Liu, and Xingjiu Huang*, Facet-dependent electrochemical

　 properties of Co3O4 nanocrystals toward heavy metal ions, Sci. Rep. 3, 2886 (2013)

2)  Shulai Lei, Wei Feng, Bin Li, Qunxiang Li*, Aidi Zhao*, Bing Wang, Jinlong Yang, J.G.Hou, Orbital-selective single  molecule rectifier on grap

　 -hene-covered Ru(0001) surface, Appl. Phys. Lett. 102, 163506 (2013)

3)  Jing Huang, Ke Xu, 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)

4)  Jing Huang, Qunxiang Li*, Ke Xu, Haibin Su, and Jinlong Yang, Electronic, magnetic and transport properties of Fe-COY clusters: A theoretic

　 -al study, J. Phys. Chem. C 114, 11946 (2010)

5)  Ke Xu, Jing Huang, Shulai Lei, Haibin Su, Freddy Y.C.Boey, Qunxiang Li*, and Jinlong Yang, Efficient organometallic spin filter based on Eur

　 -opium–cyclo- octatetraene wire, J. Chem. Phys. 131, 104704 (2009)

6)  Lian Sun, Qunxiang Li*, Hao Ren, Haibin Su, Q. W. Shi, and Jinlong Yang*, Strain effect on energy gaps of armchair graphene nanoribbons,

　 J. Chem. Phys. 129, 074704 (2008)

7)  Zhengfei Wang, Qunxiang Li*, Huaixiu Zheng, Hao Ren, Haibin Su, Qinwei Shi, and Jie Chen*, Tuning the electronic structure of graphene na

　 -noribbons through chemical edge modification: A theoretical study, Phys. Rev. B 75, 113406 (2007)

8)  Qunxiang Li, and X. Hu, First-principles study of Ni₂P (0001) surface, Phys. Rev. B 74, 035414 (2006)