1. 基本情况
博士、副研究员、硕士生导师
河北工业大学材料科学与工程学院
地址：天津市红桥区光荣道29号河北工业大学南院
2. 教育背景
2007.09-2010.06 南开大学 化学学院 博士后
2004.09-2007.06 重庆大学 材料科学与工程学院 博士
2000.09-2003.06 重庆大学 化学与化工学院 硕士
1996.09-2000.06 重庆大学 化学与化工学院 本科
3. 研究领域
材料计算与模拟、新能源材料、催化材料、电化学
4. 主持/参与项目
（1） 国家自然科学基金 青年基金 多孔氮化硼中的活性结构与吸附性能的理论研究 21603052 2017.1-2019.12，20万元，主持。
（2） 河北省自然科学基金 面上项目 BN纳米带功能化的理论研究2012.1- 2014. 12，5万元，主持。
（3） 河北省自然科学基金 面上项目 以多孔氮化硼为载体的高活性、长寿命过渡金属催化剂的理论构筑与模拟 2018.1-2020.12， 6万元，主持。
5. 代表性论文
(1) Q. L. Li, Y. Liu, X. F. Yu, L. L. Li*, X. H. Zhang, Z. M. Lu, J. Lin, X. J. Yang*, Y. Huang*. Removal of Cr(III)/Cr(VI) from wastewater using defective porous boron nitride: a DFT study. Inorganic Chemistry Frontiers, 2018, 5, 1933–1940.
(2) X. P. Han, G. W. He, Y. He, J. F. Zhang, X. R. Zheng, L. L. Li, Y. D. Deng,* W. B. Hu, Engineering Catalytic Active Sites on Cobalt Oxide Surface for Enhanced Oxygen Electrocatalysis, Adv. Energy Mater., 2018, 8, 1702222. (封面论文)
(3) C. Y. Wang, D. D. Sun, X. F. Yu, X. H. Zhang, Z.M. Lu, X. X. Wang, J. L. Zhao*, L. L. Li*, X. J. Yang*. Cu/Ni nanoparticles supported on TiO2(B) nanotubes as hydrogen generation photocatalysts via hydrolysis of ammonia borane. Inorganic Chemistry Frontiers, 2018, 5, 2038–2044.
(4) X. J. Yang*, C. Y. Wang, R. Y. Gao, Z. M. Lu, X. H. Zhang, X. F. Yu, L. L. Li*. Non-noble metallic nanoparticles supported on titania spheres as catalysts for hydrogen generation from hydrolysis of ammonia borane under ultraviolet light irradiation. Int. J. Hydrogen Energy, 2018, 43, 16556–16565.
(5) L. L. Li*, Y. Liu, X. J. Yang, X. F. Yu, Y. Fang, Q. L. Li, P. Jin, C. C. Tang，Ambient Carbon Dioxide Capture Using Boron-Rich Porous Boron Nitride: A Theoretical Study, ACS Appl. Mater. Interfaces, 2017, 9 (18): 15399–15407.
(6) L. Yang, P. Jin, Q.H. Hou, L. L. Li*, Endohedral metalloborofullerenes M@B44 (M = Ca, Sr, Ba): a computational investigation. J Mol. Model 2016, 22:297.
(7) C. Liu, L. Yang, P. Jin, Q. H. Hou, L. L. Li*, Computational prediction of endohedral dimetalloborofullerenes M2@B80 (M = Sc, Y). Chemical Physics Letters 2017, 676: 89–94.
(8) P. Jin, L. Yang, C. Liu, Q. H. Hou, L. L. Li*, Computational prediction of the endohedral metalloborofullerenes Theor Chem Acc 2017, 136:56.
(9) L. L. Li*, X. F. Yu, X. J. Yang, Y. Fang, X. H. Zhang, X. W. Xu, P. Jin, C. C. Tang，Porous BN with vacancy defect for selective removal of CO from H2 feed gas in hydrogen fuel cells: a DFT study, Journal of Materials Chemistry A, 2016, 4: 15631-15637.
(10) L. L. Li*, X. F. Yu, X. J. Yang, X. H. Zhang, X. W. Xu, P. Jin, J. L. Zhao, X. X. Wang, C. C. Tang*，Electronic properties and relative stabilities of heterogeneous edge-decorated zigzag boron nitride nanoribbons，Journal of Alloys and Compounds, 2015, 649: 1130-1135.
(11) L. L. Li*, S. Q. Yang，X. J. Yang, X. W. Xu, C. C. Tang. Boron adsorption induced magnetism in zigzag boron nitride nanotubes J. Molecular Structure, 2012, 1020: 183–187.
(12) L. L. Li, B. Peng, Z. L. Tao, F. Y. Cheng, J. Chen*, A Quantum Chemical Study on Understanding the Dehydrogenation Mechanisms of Metal (Na, K, or Mg) Cation Substitution in Lithium Amide Nanoclusters. Advanced Functional Materials, 2010, 20: 1894-1902.
(13) L. L. Li, B. Peng, W. Q. Ji, J. Chen*, Studies on the Hydrogen Storage of Magnesium Nanowires by Density Functional Theory. The Journal of Physical Chemistry C, 2009, 113: 3007-3013.
