副研究员,硕士生导师
longhuali@messianic-prophecy.net
李龙华,副研究员,硕士生导师,2010年毕业于乐鱼体育科学院长福建物质结构研究所,获博士学位。后在美国西北乐鱼体育从事博士后研究,主要集中在光电晶体和纳米材料的理论设计以及物理性质的研究。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 收录的物理、化学、材料领域的期刊发表研究论文30余篇。
目前主持全面覆盖全球的体育博彩平台青年基金项目,江苏省自然科学青年基金项目,国家博士后面上基金项目。
教育经历:
2015.01~至今江苏乐鱼体育
2011.11~2014.10: 美国西北乐鱼体育,博士后
2010.09~2011.10: 中科院福建物质结构研究所,助理研究员
2005.09~2010.7: 中科院福建物质结构研究所,材料物理化学,硕博连读
2000.09~2004.07: 乐鱼体育地质乐鱼体育(北京),材料科学与工程系,攻读学士学位
主要研究方向:
以DFT(密度泛函理论)为工具研究分子和材料的物理性质,包括:(1)二维材料及其范德华异质结的光、电等物理性质的优化调节;(2)CO2等催化过程的路径搜索以及规律的研究;(3)特定性质(例如:指定能隙,指定硬度,负膨胀等)材料结构的设计,以及相关算法的研究。(4)电子纳米器件传输性质的非平衡格林函数的理论研究。
代表性论文:
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.