李群祥
单位：化学物理系
地址：中国科大化学物理系
邮编：230026
电话：
个人主页： http://staff.ustc.edu.cn/~liqun/cv_li.pdf
实验室介绍： http://staff.ustc.edu.cn/~liqun/


个人简历 Personal resume


1993年本科毕业于华中师大物理系，1999年获中国科大凝聚态物理博士学位，1999.9–2001.7中国科大选键化学重点实验室博士后, 2001.7-2007.12中国科大化学物理系副教授，现为基金委资助的知识创新研究群体成员，合肥微尺度物质科学国家实验室和化学物理系教授，博士生导师。曾先后到香港理工大学(1999.2-1999.4)、意大利国际理论物理中心、日本东京大学(2001.11-2002.3)、日本物质材料科学研究所(2005.2-2006.3)和新加坡南洋理工大学等访问和合作研究。目前研究方向是理论和计算物理化学，侧重单分子的化学物理性质、分子电子学的输运特性、新型/纳米材料的结构和物性以及扫描探针显微术理论。正主持和参与国家自然科学基金、科技部国家重大研究计划和基金委创新团队等6个项目。与实验合作者一起在单分子科学取得一些较重要的研究成果，参与的几项研究工作获得国内外同行的好评，其研究成果曾入选1999年国内十大基础研究，2001和2005年国内十大科技进展。现已在Science， Phys. Rev. B, J. Chem. Phys.和Appl. Phys. Lett.等国内外学术期刊上发表SCI论文80余篇，论文引用1500余次，H因子为23。


研究方向 Research direction


1、单分子化学物理性质的表征与调控
2、分子器件输运特性和工作原理的理论研究
3、新型材料的结构和物性的理论研究



招生信息 Enrollment information


背景知识：需要掌握量子理论/化学、结构化学和固体物理方面的知识，具有一定计算编程能力(Fortran语言)和unix/linux操作系统知识。欢迎物理系和化学系对理论与计算模拟感兴趣的优秀学子加盟。考试科目：请参见-2014年中国科大博士研究生招生简章。联系方式：电话: +86- 传真: +86- Email: liqun@ustc.edu.cn


论文专著 The monograph Researcher ID


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)Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance - J. Chem. Phys. - 2012-2 - 136, 064707 (2012)
4)Investigation of facet-dependent performance of a-Fe2O3 nanocrystals for heavy metals determination by stripping voltammetry - Chemical Communications - 201402 - 50, 5011 (2014)
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).