副研究員，碩士生導師

longhuali@ujs.edu.cn

李龍華，副研究員，碩士生導師，2010年畢業于中國科學院長福建物質結構研究所，獲博士學位。後在美國西北大學從事博士後研究，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。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。

教育經曆：

2015.01～至今菠菜技术交流论坛

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

主要研究方向：

以DFT(密度泛函理論)為工具研究分子和材料的物理性質，包括：（1）二維材料及其範德華異質結的光、電等物理性質的優化調節；（2）CO2等催化過程的路徑⚜⭐〰✝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數的理論研究。

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.