个人简介

李龙华，男，博士，副教授，硕导。长期从事材料表界面性质的密度泛函理论和实验研究。主持等国家级项目1项，省部级项目2项；在Adv. Func. Mater., Nat. Commun., Phys. Rev. B等期刊发表SCI论文30余篇。

教育经历

2011/10至2014/12，美国西北大学，物理与天文学院，博士后

2005/09至2010/06，中科院福建物质结构研究所，材料物理与化学，硕博连读

2000/09至2004/06，中国地质大学（北京），材料科学与工程学院，材料学，学士

工作经历

2015/07至今，江苏大学化学化工学院，副教授

2010/07至2011/09，中科院福建物质结构研究所，助理研究员

研究方向

       主要以密度泛函理论计算为工具研究以下方向：

1. 化学反应中的表界面性质（吸附、分离与检测）。

2.（自旋）电子在表界面中的输运（例如：隧道磁阻（TMR）器件等）。

承担项目

1. “NiO空穴传输层与活性层界面的几何和电子结构的第一原理性研究”，国家自然科学基金/青年项目，已结题

2. “有机聚合物光伏材料 PTB 带隙和能级调控的研究”，江苏省自然科学基金/青年项目，已结题

学术论文（第一作者/通讯作者）

[1]Bingqing Shen, Qian Wu, Yanguo Guo, Jie Qin, Hailong Chen, Ying Yang, Zhenjiang Liu^*, Longhua Li^*, Weibin Li, Chengzhou Zhu^*, Modulating the Hydrophilic-Hydrophobic Microenvironment of MOF-Stabilized Pt Nanozymes: the Role of H2O in the Peroxidase-Like Catalyzed Reaction, Advanced Functional Materials, 2024, 2415854

[2]Qitao Chen, Baodong Mao, Yanhong Liu, Yunjie Zhou, Hui Huang, Song Wang, Longhua Li^*, Wei-Cheng Yan^*, Weidong Shi^*, Zhenhui Kang^*, Designing 2D carbon dot nanoreactors for alcohol oxidation coupled with hydrogen evolution, Nature Communications, 2024, 15, 8052

[3]Yating Fan; Weidong Shi^*; Longhua Li^*; Regulating Complex Transition Metal Oxyhydroxides Using Ni3S2: 3D NiCoFe(oxy)hydroxide/Ni3S2/Ni Foam for an Efficient Alkaline Oxygen Evolution Reaction, Inorganic Chemistry, 2023, 62: 1561-1569

[4]Li Longhua^*; Effects of the Interlayer Interaction and Electric Field on the Band Gap of Polar Bilayers: A Case Study of Sc₂CO₂, Journal of Physical Chemistry C, 2016, 120(43): 24857-24865

[5]Longhua Li; Jianli Mi; Yangchun Yong; Baodong Mao; Weidong Shi; First-Principles Study on the Lattice Plane and Termination Dependence of Electronic Properties of the NiO/CH₃NH₃PbI₃ Interfaces, Journal of Materials Chemistry C, 2018, 6: 8226-8233

[6]Longhua Li; Baoxin Ge; Bolin Han; Weidong Shi; Donor–Acceptor Sequence Engineering in π-Conjugated Polymers for Enhanced Hole Transport and Photocurrent, Journal of Physical Chemistry C, 2019, 123: 14253-14260

[7]Baoxin Ge; Biyi Chen; Longhua Li^*; Ternary transition metal chalcogenides Ti2PX2 (X = S, Se, Te) anodes for high performance metal-ion batteries: A DFT study, Applied Surface Science, 2021, 550: 149177

[8]Longhua Li^*; Lattice dynamics and electronic structures of Ti₃C₂O₂ and Mo₂TiC₂O₂ (MXenes): The effect of Mo substitution, Computational Materials Science, 2016, 124: 8-14

[9]Xuejiao Wang, Xintao Li, Longhua Li^*; Impacts of alkali and alkaline earth defects on the Electronic, magnetic properties and work function of 2H-CrS₂, Computational Materials Science, 2025, 253: 113822

[10]Long-Hua Li^*, Oleg Y. Kontsevoi, Arthur J. Freeman, Electronic and Optical Properties of the

PTB7 Crystal: First-principles GW-BSE calculations, Phys. Rev. B, 2014, 90(19): 195203.

开源软件：

GenLS软件网址为：https://github.com/arlonne/GenLS