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
邮箱：liabc@hebut.edu.cn

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 ** 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) fromwastewater using defective porous boron nitride: a DFT study. InorganicChemistry 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 CobaltOxide Surface for Enhanced Oxygen Electrocatalysis, Adv. Energy Mater., 2018, 8, **. (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/Ninanoparticles supported on TiO2(B) nanotubes as hydrogen generationphotocatalysts 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 titaniaspheres as catalysts for hydrogen generation from hydrolysis of ammonia boraneunder 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 DioxideCapture 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*, Endohedralmetalloborofullerenes 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*, Computationalprediction of endohedral dimetalloborofullerenes M2@B80 (M = Sc, Y). ChemicalPhysics Letters 2017, 676: 89–94.
(8) P. Jin, L. Yang, C.Liu, Q. H. Hou, L. L. Li*, Computationalprediction 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 vacancydefect for selective removal of CO from H₂ feed gas in hydrogen fuelcells: 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*，Electronicproperties and relative stabilities of heterogeneous edge-decorated zigzagboron nitride nanoribbons，Journal of Alloys andCompounds,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 zigzagboron 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 DehydrogenationMechanisms of Metal (Na, K, or Mg) Cation Substitution in Lithium AmideNanoclusters. 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 FunctionalTheory. The Journal of Physical Chemistry C, 2009, 113: 3007-3013.