李群祥，男，博士，合肥微尺度物質科學國家實驗室和化學物理系教授，博士生導師。
基本介紹
- 中文名：李群祥
- 畢業院校：中國科學技術大學
- 學位/學歷：博士
- 專業方向：單分子化學物理性質的表征與調控
- 職稱：合肥微尺度物質科學國家實驗室和化學物理系教授
人物簡介,主要成就,研究方向,論文專著,
人物簡介
1999年獲中國科大凝聚態物理博士學位，
1999.9–2001.7中國科大選鍵化學重點實驗室博士後,
2001.7-2007.12中國科大化學物理系副教授，
現為基金委資助的知識創新研究群體成員，合肥微尺度物質科學國家實驗室和化學物理系教授，博士生導師。
主要成就
曾先後到香港理工大學(1999.2-1999.4)、義大利國際理論物理中心、日本東京大學(2001.11-2002.3)、日本物質材料科學研究所(2005.2-2006.3)和新加坡南洋理工大學等訪問和合作研究。目前研究方向是理論和計算物理化學，側重單分子的化學物理性質、分子電子學的輸運特性、新型/納米材料的結構和物性以及掃描探針顯微術理論。正主持和參與國家自然科學基金、科技部國家重大研究計畫、基金委創新團隊、中國科學院、安徽省優秀青年基金等多個項目。現已在Phys. Rev. B, J. Chem. Phys.和Science等國內外學術期刊上發表論文六十餘篇。與實驗合作者一起在單分子科學取得一些較重要的研究成果，參與的幾項研究工作獲得國內外同行的好評，其研究成果曾入選1999年國內十大基礎研究，2001和2005年國內十大科技進展。
研究方向
1、單分子化學物理性質的表征與調控
2、分子器件輸運特性和工作原理的理論研究
3、新型材料的結構和物性的理論研究
論文專著
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).
