Faculty Profile
 
  Qunxiang Li
     
Department: Department of Chemical Physics
Mailing Address:
Jinzhai Road 96#, USTC, Hefei, Anhui 230026, China
Postal Code:
230026
Phone:
0551-63607125
Fax:
0551-63603748
Homepage:
http://staff.ustc.edu.cn/~liqun/cv_li.pdf
 
       

Research Profile

Qunxiang LI, male, professor, Ph. D Supervisor, Hefei National Laboratory for Physical Sciences at the Microscale & Department of Chemical Physics.

Ph.D. in Condensed Matter Physics, USTC.1999; 
Postdoctoral fellow, the Key Laboratory of Bond Selective Chemistry, USTC, 1999.9-2001.7; 
Associate Professor, Dept. of Chemical Physics, USTC, Jul.2001-Dec.2007; 

He did visiting research and joint research in Hong Kong Polytechnic University (Feb.1999-Apr.1999), International Centre for Theoretical Physics, Italy, University of Tokyo, Japan (Nov.2001-Mar.2002), Japan Institute for Materials Science (Feb.2005-Mar.2006) and Nanyang Technological University, Singapore (Feb. 2008-Apr.2008, Jan.2009-Feb.2009). 

Current research interests: theoretical and computational chemical physics, with extra emphasis on chemical physics properties of a single molecule, transport properties of molecular electronics, structure and properties of Novel / Nano-materials and theory of scanning probe microscopy. He is taking charge of and taking part in several projects of National Natural Science Foundation of China, Major National Research Project of Ministry of Science and Technology, NSFC Innovation Team, Chinese Academy of Sciences and Outstanding Youth Fund of Anhui Province. He has published over 60 papers on academic journals including: Phys. Rev. B, J. Chem. Phys and Science, and has made some important research findings in the area of single-molecule science with research partners. His research findings were appraised as one of the National Top Ten Basic Research in 1999 and National Top Ten Scientific and Technological Progress in 2001 and 2005. 
 
     
Selected Publications
1)  Evidence of van Hove singularities in ordered grain boundaries of Graphene , Phy. Rev. Lett. , 201404 , 112, 226804 (2014)
2) Facile synthesis of pentacle Au-Cu alloy nanocrystals and their plasmonic and catalytic properties , Nature Communications , 201406 , 5, 4327 (2014)
3) Investigation of facet-dependent performance of a-Fe2O3 nanocrystals for heavy metals determination by stripping voltammetry , Chemical Communications , 201402 , 50, 5011 (2014)
4) Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance , J. Chem. Phys. , 2012-2 , 136, 064707 (2012)
5) Enhanced Photocatalytic Mechanism for the Hybrid g-C3N4/MoS2 Nanocomposite , J. Mater. Chem. A , 201404 , 2, 7960 (2014)
6) Band structure engineering of anatanse TiO2 by metal-assisted P-O coupling, , J. Chem. Phys. , 201405 , 140, 174705 (2014)
7) Robust negative differential resistance effect in molecular devices based on nitrogen-doped graphene nanoribbons , J. Chem. Phys. , 201405 , 140, 164703 (2014)
8) Band structure tuning of TiO2 for enhanced photoelectrochemical water splitting , J. Phys. Chem. C , 201404 , 118, 7451 (2014)
9) Electronic and optical properties of TiO2 nanotubes and arrays: A first-principles study , Phys. Chem. Chem. Phys. , 201406 , 16, 11519 (2014)
10) Facet-dependent electrochemical properties of Co3O4 nanocrystals toward heavy metal ions , Sci. Rep. , 201309 , 3,2886 (2013)
11) Orbital-selective single molecule rectifier on graphene-covered Ru(0001) surface , Appl. Phys. Lett. , 201304 , 102, 163506 (2013)
12) Electronic, Magnetic, and Transport Properties of Fe-COT Clusters: A Theoretical Study , J. Phys. Chem. C , 201007 , 114, 11946 (2010).
13) Efficient organometallic spin filter based on Europium-cyclooctatetraene wire , J. Chem. Phys. , 200909 , 131, 104704 (2009).
14) Graphene nanoribbon as a negative differential resistance device , Appl. Phys. Lett. , 200905 , 94, 173110 (2009).
15) Strain effect on electronic structure of graphene nanoribbons: A first-principles study , J. Chem. Phys. , 200808 , 129, 074704 (2008).
16) Switching mechanism of photochromic diarylethene derivatives molecular junctions , J. Chem. Phys. , 200709 , 127, 094705 (2007).
17) Pair-hopping characteristic of lithium diffusive motion in Li-doped beta-phase manganese-phthclocyanine , J. Phys. Chem. B , 200707 , 111, 10064 (2007)
18) Tuning the electronic structure of graphene nanoribbons through chemical edge modification: A theoretical study , Phys. Rev. B , 200703 , 75, 113406 (2007).
19) Electronic structure of bilayer graphene: A real-space Green's function study , Phys. Rev. B , 200702 , 75, 085424 (2007).
20) Electronic and magnetic properties of V-doped anatase TiO2 from first principles , Phys. Rev. B , 200612 , 74, 233201(2006).
21) Single quintuple bond [PhCrCrPh] molecule as a possible molecular switch , J. Chem. Phys. , 200611 , 125, 184713 (2006).
22) First-principles study of Ni2P (0001) surface , Phys. Rev. B , 200607 , 74, 035414 (2006).
23) Controlling the Kondo Effect of an adsorbed magnetic ion through its chemical bonding , Science , 200509 , 309, 1542 (2005).
 
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TEL: +86-551-63600279, E-mail: tianlin@ustc.edu.cn