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LI Zhenyu, Professor Theoretical and Computational Sciences
Name:  Zhenyu Li (Z. Li 李震宇)
Address:   Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei 230026, P. R. China
Tel: 86-551-63600934
E-mail: zyli@ustc.edu.cn
Homepage: http://staff.ustc.edu.cn/~zyli/
Office: Room 5019, HFNL Building
   
EDUCATION AND RESEARCH EXPERIENCE
 2012-present Hefei National Laboratory for Physical Sciences at the Microscale, USTC, professor
 2007-2012 Hefei National Laboratory for Physical Sciences at the Microscale, USTC, Associate Professor
 2006-2007 Department of Chemistry, University of California, Irvine, postdoc.
 2004-2006 Department of Chemistry and Biochemistry, University of Maryland, College Park, postdoc.
 1999-2004 Department of Chemical Physics, USTC, Ph.D.
 1995-1999 Special Class for Gifted Young, USTC, B.S.
 
RESEARCH INTERESTS
1) Theoretical Design and Computational Characterization of Advanced Materials
2) Dynamics of Physical Diffusions, Chemical Reactions, and Biological Processes
3) Modeling of Quantum Transportation in Molecular Electronics
4) Electronic Spectroscopy Simulation for Proteins
5) Density Functional Theory and Relative Numerical Methods
 
CURRENT RESEARCH PROJECTS
1) NSFC Outstanding Young Researcher Program, PI
2) NSFC general project, PI
 
REPRESENTATIVE PUBLICATIONS
1) Z. Qiu, L. Song, J. Zhao, Z. Li,* and J. Yang, “The Nanoparticle Size Effect in Graphene Cutting: A Pac-Man Mechanism”, Angew. Chem. Int. Ed. 55 (2016) 9918.
2) P. Wu, Y. Zhang, P. Cui, Z. Li,* J. Yang, and Z. Zhang,* “Carbon Dimers as the Dominant Feeding Species in Epitaxial Growth and Morphological Phase Transition of Graphene on Different Cu Substrates”, Phys. Rev. Lett. 114 (2015), 216102.
3) S. Zhao, Z. Li,* and J. Yang* “Obtaining Two-Dimensional Electron Gas in Free Space without Resorting to Electron Doping: An Electride Based Design”, J. Am. Chem. Soc. 136 (2014), 13313-13318.
4) P. Wu, H. Jiang, W. Zhang, Z. Li,* Z. Hou,* and J. Yang, “Lattice Mismatch Induced Nonlinear Growth of Graphene”, J. Am. Chem. Soc. 134 (2012), 6045-6051.
5) W. Zhang, P. Wu, Z. Li,* and J. Yang “First-Principles Thermodynamics of Graphene Growth on Cu Surfaces”, J. Phys. Chem. C 115 (2011), 17782-17787.
6) Z. Li,* W. Zhang, Y. Luo, J. Yang,* and J. G. Hou, “How Graphene Is Cut upon Oxidation?”, J. Am. Chem. Soc. 131 (2009), 6320-6321.
7) Z. Li, D. Abramavicius, and S. Mukamel,* “Probing Electron Correlations in Molecules by Two-Dimensional Coherent Optical Spectroscopy”, J. Am. Chem. Soc. 130 (2008), 3509-3515.
8) Z. Li and D. S. Kosov,* “Orbital interaction mechanisms of conductance enhancement and rectification by dithiocarboxylate anchoring group”, J. Phys. Chem. B 110 (2006), 19116-19120.
9) Z. Li, J. Yang,* J. G. Hou, and Q. Zhu, “Is Mayenite without Clathrated Oxygen an Inorganic Electride?”, Angew. Chem. Int. Ed. 43 (2004), 6479-6482
10) Z. Li, J. Yang,* J. G. Hou, and Q. Zhu, “Inorganic Electride: Theoretical Study on Structural and Electronic Properties”, J. Am. Chem. Soc. 125 (2003), 6050-6051.

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