刘莉丽


 

副教授 博士

通讯地址:北京市海淀区阜成路11

联系方式:liulili@btbu.edu.cn

 

个人简历:

20056月毕业于郑州大学化学系,获理学学士学位

20123月毕业于名古屋大学化学系,获理学博士学位

2014年至今,于北京工商大学理学院化学系工作

 

主要研究领域:

实验方面针对下一代高能量密度锂电池新体系,开发高压电解液、过渡金属氧化物负极、硅碳负极等新材料,通过原位电镜、波谱技术及电化学分析方法,深入研究了材料结构与电化学性能之间的关系,优化材料设计,为新能源产业发展提供支撑。

理论方面使用DFT, Ab initioDFTB方法、量子力学/分子动力学模拟(QM/MD)方法,通过理论计算与实验相结合开展了碳纳米材料,碳纳米管电子器件性能应用、共价有机框架材料的结构和电子特性等方面的研究;对碳纳米管的无催化剂克隆生长机制和多层碳纳米管体系之间的缺陷迁移行为和缺陷修复的机理的理论研究;对锂电池电解液的阻燃添加剂,高性能添加剂性能筛选的模拟研究。

 

主讲课程 《物理化学》《软物质化学》

 

主要科研项目:

(一)国家自然科学基金(主持),课题名称:双层石墨烯层间缺陷迁移及其能带调控机制的理论研究

(二)青年教师科研启动基金(主持),课题名称:石墨烯CVD生长过程中金属基底效应的理论模拟研究

(三)北京市委组织部优秀人才项目(主持),课题名称:金属基底调控石墨烯CVD生长的理论模拟研究

 

近年发表的主要科研论文:

[1] L. Liu, S. Wang, Z. Zhang, J. Fan, W. Qi, S. Chen. Fluoroethylene carbonate as an electrolyte additive for improving interfacial stability of high-voltage LiNi0.6Co0.2Mn0.2O2 cathode. Ionics. 2019, 25,1035.

 

[2] L. Liu, C. Du, S. Wang, S. Chen. Three new bifunctional additives for safer nickel-cobalt-aluminum based lithium ion batteries. Chinese Chem Lett. 2018, 29, 1781.

 

[3] K. Wen, L. Liu, S. Chen, S. Zhang. A bidirectional growth mechanism for a stable lithium anode by a platinum nanolayer sputtered on a polypropylene separator. RSC Adv. 2018, 8, 13034.

 

[4] L. Liu, L. Mou, J. Yu, S. Chen. Urchin-like CoO-C micro/nano hierarchical structures as high performance anode materials for Li-ion batteries. RSC. Adv. 2017, 7, 2637.

 

[5] L. Mou, J. Yu, X. L. Liu*, Zhang, S. Chen. Facile fabrication of layer-cake-like nano-micro hierarchical structure for high performance Li storage. RSC. Adv. 2017, 7, 28548.

 

[6] L. Liu, S. Chen. Geometries and Electronic States of Divacancy Defect in Finite-Size Hexagonal Graphene Flakes. J. Chem. 2017, manuscript ID 2491264 (published online: https://doi.org/10.1155/2017/8491264).

 

[7] L. Liu, S. Chen.Theoretical Study on Cyclopeptides as the Nanocarriers for Li+, Na+, K+ and F-, Cl-, Br-. J. Nanomater. 2015, manuscript ID 276191 (published online: http://dx.doi.org/10.1155/2015/276191).

 

[8] L. Liu, M. Qing, Y. Wang, S. Chen. Defects in Graphene: Generation, Healing, and Their Effects on the Properties of Graphene: A Review. J Mater. Sci. Technol. 201531, 599.

 

[9] L. Liu, J. Gao, X. Zhang, F. Ding. Vacancy inter-layer migration in multi-layered graphene. Nanoscale. 2014, 2014, 6, 729.

 

[10] X. Zhang, Z. Bao, L. Liu, W. Xu ,Y. Liu. Theoretical exploration on the electronic and magnetic properties of (FeCp)(n) - (n=1, 2) ligand-functionalized graphene. RSC Adv., 2017, 7, 18068.

 

[11] C. Du, L. Yu, X.Liu, L. Liu, C. Wang. Oscillatory electrostatic potential on graphene induced by group IV element decoration. Scientific Reports. 2017, 7, 13152.

 

[12] Z. Fu, J. Wang, Y. yang, W. Yang, L. Liu, Z. Hu, P. Zhang. Doping stability and charge-density-wave transition of strained 1T-TiSe2. EPL. 2017,120, 17006.

 

[13] L. Kang, Y. Hu, L. Liu (理论部分一作), J. Wu, S. Zhang, Q. Zhao, F. Ding, Q. Li, J. Zhang. Growth of Close-Packed Semiconducting Single-Walled Carbon Nanotube Arrays Using Oxygen-Deficient TiO2 Nanoparticles as Catalysts. Nano. Lett. 2015, 15, 403-409

 

[14] J. Robin, S.Dhanraj, L. Liu (理论一作), F. Ding, Z. Xu,  C, Vijayan, P. Vijayamohanan, P. Thalappil. Sequential Electrochemical Unzipping of Single-Walled Carbon Nanotubes to Graphene Ribbons Revealed by in Situ Raman Spectroscopy and Imaging. ACS Nano. 2014, 8, 234.

 

[15] C. Hu, X. Zhai, L. Liu (理论一作), Y. Zhao, L. Jiang, L. Qu. Spontaneous Reduction and Assembly of Graphene oxide into Three-Dimensional Graphene Network on Arbitrary Conductive Substrates. Scientific Reports. 2013, 3, 2065.

 

[16] S. Qi, H. Iida, L. Liu (理论一作), S. Irle, W. Hu, E. Yashima. Electrical Switching Behavior of a [60]Fullerene-Based Molecular Wire Encapsulated in a Syndiotactic Poly(methyl methacrylate) Helical Cavity. Angew. Chem. Int. Ed., 2013, 52, 774 (inner cover paper).

 

[17] X. Feng, L. Liu (理论一作), Y.  Honsho, A.Saeki, S. Seki, S. Irle, Y. Dong, A. Nagai, and D. Jiang. High-rate charge-carrier transport in porphyrin covalent organic frameworks: switching from hole to electron to ambipolar conduction. Angew. Chem. Int. Ed., 2012, 51, 2618.

 

[18] X. Feng, L. Chen Y. Honsho, O. Saengsawang, L. Liu, L. Wang, A. Saeki, S. Irle, S. Seki, Y. Dong and D. Jiang. An Ambipolar Conducting Covalent Organic Framework with Self-Sorted and Periodic Electron Donor-Acceptor Ordering. Adv. Mater. 2012, 24, 3026.

 

[19] X. Gao, L. Liu, S. Irle and S. Nagase. Carbon Spiral Helix: A Nanoarchitecture Derived from Monovacancy Defects in Graphene. Angew. Chem. Int. Ed. 2010, 49, 3200.

 

[20] C. Liu, L. Liu, P. Han, M. Tang and H. Fu, Y. Li. Structure and stability of B5C and C5B clusters. Commun. Mass Spectrom. 2008, 22, 3599.

 

[21] L. Sun, M. Tang, H. Wang, D. Wei, L. Liu. A theoretical investigation of the enantioselective reduction of prochiral ketones promoted by chiral diamines. A Tetrahedron: Asymmetry. 2008,19, 779.

 

 


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