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李龙华

  李龙华2015.01~至今 江苏大学科学研究院

  教育经历
  2011.11~2014.10: 美国 西北大学,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: 中国地质大学(北京),材料科学与工程系,攻读学士学位

  联系方式:
  电话: 13912800719
  电子邮箱 : longhuali@ujs.edu.cn
  个人主页: http://kxyjy.ujs.edu.cn/pub/cms
  地址:江苏省镇江市学府路301号(邮编212013) 江苏大学“中国-澳大利亚先进光电分子功能材料国际联合研究中心”

  研究方向
  以Ab initio(从头计算) 和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)计算和分析有机分子和材料的电、光性质,包括单光子、双光子和三光子吸收性质。(2)具有高性能三阶非线性光学分子的理论设计。(3)实验现象的理论解释。(4)有机分子晶体中的局域对称性和全局对称性(local symmetry vs. globe symmetry)与物理性能的关系。

  研究成果
  在Chemistry of Materials、Physical Review B、Journal of Physical Chemistry、Journal of Chemical Physics、Inorganic chemistry、Journal of the American Chemical Society、Angewandte Chemie International Edition等SCI 收录的物理、化学、材料领域的期刊发表研究论文26篇。

  
发表论文
  [1]. 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.
  [2]. 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.
  [3]. 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.
  [4]. Ke-Zhao Du, Mei-Ling Feng, Xing-Hui Qi, Zu-Ju Ma, Long-Hua Li, Jian-Rong Li, Cheng-Feng Du, Guo-Dong Zou, Xiao-Ying Huang, (enH 2) 4.5 [In (As VS 4) 3][As 2 III (μ-S 2) S 3] Cl and (enH 2) MnAs III As VS 6: two thioarsenates (iii, v) with mixed-valent optical properties. Dalton Transactions, 2014, 43, 2733.
  [5]. 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.
  [6]. Hua Lin, Long-Hua Li, Ling Chen, Diverse Closed Cavities in Condensed Rare Earth Metal–Chalcogenide Matrixes: Cs [Lu7Q11] and (ClCs6)[RE21Q34](RE= Dy, Ho; Q= S, Se, Te). Inorganic Chemistry, 2012, 51, 4588.
  [7]. 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.
  [8]. Jian-Rong Li, Zai-Lai Xie, Xiao-Wu He, Long-Hua Li, Xiao-Ying Huang, Crystalline Open-Framework Selenidostannates Synthesized in Ionic Liquids. Angewandte Chemie International Edition, 2011, 50, 11395.
  [9]. Mei-Chun Chen, Peng Li, Liu-Jiang Zhou, Long-Hua Li, Ling Chen, Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La2Ga2GeS8 and Eu2Ga2GeS7 and Nonlinear-Optical Responses in Middle Infrared. Inorganic Chemistry, 2011, 50, 12402.
  [10]. 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.
  [11]. Hua-Jun Zhao, Long-Hua Li, Li-Ming Wu, Ling Chen, Syntheses, Crystal and Electronic Structures, and Physical Properties of Quaternary Semiconductors: Ln2Mn3Sb4S12 (Ln= Pr, Nd, Sm, Gd). Inorganic Chemistry, 2010, 49, 5811.
  [12]. Peng Li, Long-Hua Li, Ling Chen, Li-Ming Wu, Synthesis, structure and theoretical studies of a new ternary non-centrosymmetric β-LaGaS3. Journal of Solid State Chemistry, 2010, 183, 444.
  [13]. 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.
  [14]. Xiao-Wu Lei, Zhong-Ming Sun, Long-Hua Li, Guo-Hua Zhong, Chun-Li Hu, Jiang-Gao Mao, Yb5Ni4Sn10 and Yb7Ni4Sn13: New polar intermetallics with 3D framework structures. Journal of Solid State Chemistry, 2010, 183, 920.
  [15]. Yi-Zhi Huang, Li-Ming Wu, Xin-Tao Wu, Long-Hua Li, Ling Chen, Yong-Fan Zhang, Pb2B5O9I: An iodide borate with strong second harmonic generation. Journal of the American Chemical Society, 2010, 132, 12788.
  [16]. Hua-Jun Zhao, Long-Hua Li, Li-Ming Wu, Ling Chen, Syntheses, Crystal and Electronic Structures, and Physical Properties of Two Quaternary Chalcogenides: La4FeSb2Q10 (Q= S, Se). Inorganic Chemistry, 2009, 48, 11518.
  [17]. Mao-Wen Yuan, Long-Hua Li, Ling Chen, Syntheses, Structures, and Theoretical Studies of New Mercury Iodobismuthates:(Et4N) 4 (Bi4Hg2I20) and (nBu4N) 2 (Bi2HgI10). Zeitschrift für anorganische und allgemeine Chemie, 2009, 635, 1645.
  [18]. Yi Liu, Li-Ming Wu, Long-Hua Li, Shao-Wu Du, John D Corbett, Ling Chen, The Antimony-Based Type I Clathrate Compounds Cs8Cd18Sb28 and Cs8Zn18Sb28. Angewandte Chemie, 2009, 121, 5409.
  [19]. Zhi-Hua Li, LongHua Li, Li-Ming Wu, Shao-Wu Du, Assembly of Novel 2D and 3D Heterometallic SbIII-CuI Polymers Based on Antimony (III) Thiolates as Metallothiolato Ligands. European Journal of Inorganic Chemistry, 2009, 2009, 752.
  [20]. 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.
  [21]. 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.
  [22]. Jin-Peng Li, Long-Hua Li, Li-Ming Wu, Ling Chen, Synthesis, Properties, and Theoretical Studies of New Stepwise Layered Iodoplumbate:[Ni (opd) 2 (acn) 2] n [Pb4I10] n. Inorganic Chemistry, 2009, 48, 1260.
  [23]. Xiao-Wu Lei, Guo-Hua Zhong, Long-Hua Li, Chun-Li Hu, Min-Jie Li, Jiang-Gao Mao, Eu3Co2In15 and KM2In9 (M= Co, Ni): 3D frameworks based on transition metal centered In9 Clusters. Inorganic Chemistry, 2009, 48, 2526.
  [24]. Wei-Zhao Cai, Li-Ming Wu, Long-Hua Li, Ling Chen, Syntheses, Structures, and Theoretical Studies of New Ternary Antimonides β-RECoSb3 (RE= La–Nd, Sm). European Journal of Inorganic Chemistry, 2009, 2009, 230.
  [25]. Yi Liu, Ling Chen, Long-Hua Li, Li-Ming Wu, Oksana Ya Zelinska, Arthur Mar, Structures and Physical Properties of Rare-Earth Zinc Antimonides Pr6Zn1+ x Sb14+ y and RE 6Zn1+ x Sb14 (RE= Sm, Gd− Ho). Inorganic Chemistry, 2008, 47, 11930.
  [26]. Long-Hua Li, Jun-Qian Li, Li-Ming Wu, Electronic structures and optical properties of wurtzite type LiBSe2(B= Al, Ga, In): A first-principles study. Journal of Solid State Chemistry, 2008, 181, 2462.

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