李龍華，男，博士，江蘇大學化學化工學院副研究員、碩士生導師。
基本介紹
- 中文名：李龍華
- 畢業院校：中國科學院
- 學位/學歷：博士
- 職業：教師
- 專業方向：以DFT(密度泛函理論)為工具研究分子和材料的物理性質
- 職務：江蘇大學化學化工學院碩士生導師
- 任職院校：江蘇大學化學化工學院
個人經歷,研究方向,學術成果,
個人經歷
2015.01～至今江蘇大學；
2011.11～2014.10:美國西北大學，博士後；
2010.09～2011.10:中科院福建物質結構研究所，助理研究員；
2005.09～2010.7:中科院福建物質結構研究所，材料物理化學，碩博連讀；
2000.09～2004.07:中國地質大學（北京），材料科學與工程系，攻讀學士學位。
研究方向
主要集中在光電晶體和納米材料的理論設計以及物理性質的研究。
以DFT(密度泛函理論)為工具研究分子和材料的物理性質，包括：（1）二維材料及其范德華異質結的光、電等物理性質的最佳化調節；（2）CO2等催化過程的路徑搜尋以及規律的研究；（3）特定性質（例如：指定能隙，指定硬度，負膨脹等）材料結構的設計，以及相關算法的研究。（4）電子納米器件傳輸性質的非平衡格林函式的理論研究。
學術成果
在Chemistry of Materials、Journal of Materials Chemistry C、Physical Review B、Journal of Physical Chemistry、Journal of Chemical Physics、Inorganic Chemistry、Journal of the American Chemical Society等SCI收錄的物理、化學、材料領域的期刊發表研究論文30餘篇。
目前主持國家自然科學基金青年基金項目，江蘇省自然科學青年基金項目，國家博士後面上基金項目。
代表性論文：
1. Longhua Li,Weidong Shi, Tuning electronic structures of Sc2CO2/MoS2 polar-nonpolar van der Waals heterojunctions: interplay of internal and external electric fields. Journal of Material Chemistry C,2017, 5, 8128.
2. Longhua Li, Effects of the Interlayer Interaction and Electric Field on the Band Gap of Polar Bilayers: A Case Study of Sc2CO2. The Journal of Physical Chemistry C, 2016, 120, 24857.
3. Longhua Li, Lattice dynamics and electronic structures of Ti3C2O2 and Mo2TiC2O2 (MXenes): The effect of Mo substitution. Computational Material Science, 2016, 124, 8.
4. Long-Hua Li, Oleg Y. Kontsevoi, Arthur J. Freeman, Electronic and optical excitations of the PTB7 crystal: First-principles GW-BSE calculations. Physical Review B, 2014, 90, 195203.
5. Long-Hua Li, Oleg Y. Kontsevoi, Arthur J. Freeman, Atomic-Scale Understanding of the Interaction of Poly(3-hexylthiophene) with the NiO (100) Surface: A First-Principles Study. The Journal of Physical Chemistry C, 2014, 118, 20298.
6. Longhua Li, Oleg Y Kontsevoi, Arthur J Freeman, Orientation-Dependent Electronic Structures and Optical Properties of P3HT: PCBM Interface: A First-Principles GW-BSE Study. The Journal of Physical Chemistry C, 2014, 118, 10263.
7. Long-Hua Li, Oleg Y. Kontsevoi, S. H. Rhim, Arthur J. Freeman, Structural, electronic, and linear optical properties of organic photovoltaic PBTTT-C14 crystal. Journal of Chemical Physics, 2013, 138, 164503.
8. Long-Hua Li, Jun-Qian Li, Li-Ming Wu, Polymeric Fused-Ring Type Iron Phthalocyanine Nanosheet and Its Derivative Ribbons and Tubes. The Journal of Physical Chemistry C, 2012, 116, 9235.
9. Mei-Chun Chen, Long-Hua Li, Yu-Biao Chen, Ling Chen, In‐Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln: Pr, Nd, Sm, Gd—Ho) and Their Strong Nonlinear Optical Responses in Middle IR. Journal of the American Chemical Society, 2011, 133, 4617.
10. Long-Hua Li, Ling Chen, Jun-Qian Li, Li-Ming Wu, Structural Characteristics, Electronic Structure, and Thermoelectric Property of New Sb-Based Type-I Clathrates from Density Functional Theory Calculations. Chemistry of Materials, 2010, 22, 4007.
11. Long-Hua Li, Ling Chen, Li-Ming Wu, Jun-Qian Li, Can the Localization Regime of [GaNNW/BNNT] Nanocables Change from Type II to Type I? First-Principles Studies. The Journal of Physical Chemistry C, 2009, 113, 4321.
12. Long-Hua Li, Ling Chen, Jun-Qian Li, Li-Ming Wu, The first-principles study of bulk CaB6 and the field emission of CaB6 nanowires using the HCTH functional. The Journal of Physical Chemistry C, 2009, 113, 15384.
