张千帆

职称职务:副教授
所在单位:材料物理与化学系
联系电话:010-82314478
电子邮箱:qianfan@buaa.edu.cn
办公地点:IRC楼414

基本情况

2005年毕业于南京大学物理系,获学士学位;2010年毕业于中国科学院物理研究所,获博士学位;2010--2012年在美国斯坦福大学材料科学与工程学院从事博士后研究;2012年入选北京航空航天大学“卓越百人计划”,任副教授;2012年入选教育部“新世纪优秀人才支持计划”。主要研究领域为基于密度泛函理论的第一性原理材料计算模拟,研究方向包括锂电池电极材料、拓扑绝缘体、全量子化计算等。主要成果包括:1)锂在硅纳米线中的注入和传输;2)锂—硫电池电极材料的优化设计;3)氢电池中氢原子核量子效应的研究和探索;4)拓扑绝缘体中奇异拓扑态的理论模拟。曾在Nature Nanotech.、Nature Commun.、Phys. Rev. Lett.、Nano Lett.、ACS Nano、Chem. Sci.等高影响力国际期刊发表论文。多次为Nano Lett.等高水平期刊审稿。

 

主讲课程

 

 

研究方向

主要研究基于密度泛函理论的第一性原理材料计算模拟。研究领域包括能源材料、拓扑绝缘体、全量子化计算等。

 

研究成果

1)Z. W. Seh , J. H. Yu, W. Li, P. Hsu, H. Wang, Y. Sun, H. Yao, Q. F. Zhang (corresponding author), Y. Cui, “Two-dimensional layered transition metal disulphides for effective encapsulation of high-capacity lithium sulphide cathodes” Nature Commun. 5, 5017 (2014).
2) H. T. Wang, Q. F. Zhang (corresponding author), H. Yao, Z. Liang, H.-W. Lee, P.-C. Hsu, G. Zheng, and Y. Cui, “High Electrochemical Selectivity of Edge versus Terrace Sites in Two-Dimensional Layered MoS2 Materials” Nano Lett. 14, 7138 (2014).
3) Q. F. Zhang, Y. Cui, E. G. Wang, “First-principles approaches to simulate lithiation in silicon electrodes” (invited review paper) Modelling Simul. Mater. Sci. Eng. 21, 074001 (2013).
4) Z. W. Seh,   Q. F. Zhang (first co-author),   W. Y. Li,  G. Y. Zheng,   H. B. Yao and Y. Cui, “Stable cycling of lithium sulfide cathodes through strong affinity with a bifunctional binder”, Chem. Sci.4, 3673 (2013).
5) Q. F. Zhang, Z. Y. Zhang, Z. Y. Zhu, U. Schwingenschlögl, Y. Cui, “Exotic Topological Insulator States and Topological Phase Transitions in Sb2Se3-Bi2Se3 Heterostructures”, ACS Nano 6, 2345 (2012).
6) Q. F. Zhang, Y. Cui and E. G. Wang, “Anisotropic Lithium Insertion Behavior in Silicon Nanowires: Binding Energy, Diffusion Barrier, and Strain Effect”, J. Phys. Chem. C 115, 9376 (2011).
7) Q. F. Zhang, W. X. Zhang, W. H. Wan, Y. Cui and E. G. Wang, “Lithium Insertion in Silicon Nanowires: An ab initio Study”, Nano Lett. 10, 3243 (2010). (Highlighted by NPG Asia Materials at http://www.nature.com/am/journal/2010/201009/full/am2010159a.html)
8) Q. F. Zhang, G. Wahnström, M. E. Björketun, S. W. Gao and E. G. Wang, “Path Integral Treatment of Proton Transport Processes in BaZrO3”, Phys. Rev. Lett. 101, 215902 (2008).
9) W. Y. Li, Q. F. Zhang, G. Y. Zheng, Z. W. Seh, H. Yao, and Y. Cui*, “Understanding the Role of Different Conductive Polymers in Improving the Nanostructured Sulfur Cathode Performance” Nano Lett. 13, 5534 (2013).
10) J. Chen, X. Z. Li, Q. F. Zhang, M. I. J. Probert, C. J. Pickard, R. J. Needs, A. Michaelides, E. G. Wang “Quantum simulation of low-temperature metallic liquid hydrogen”, Nature Commun. doi:10.1038/ncomms3064.
11) J. Chen, X. Z. Li, Q. F. Zhang, A. Michaelides and E. G. Wang, “Nature of Proton Transport in a Water-filled Carbon Nanotube and in Liquid Water”, Phys. Chem. Chem. Phys. 15, 6344 (2013).
12) G. Y. Zheng, Q. F. Zhang, J. J. Cha, Y. Yang, W. Y. Li, Z. W. Seh and Y. Cui “Amphiphilic Surface Modification of Hollow Carbon Nanofibers for Improved Cycle Life of Lithium Sulfur Batteries” Nano Lett. 13, 1265 (2013).
13) D. S. Kong, Y. L. Chen, J. J. Cha, Q. F. Zhang, J. G. Analytis, K. J. Lai, Z. K. Liu, S. S. Hong, K. J. Koski, S. K. Mo, Z. Hussain, I. R. Fisher, Z. X. Shen, Y. Cui, "Ambipolar Field Effect in the Ternary Topological Insulator (BixSb1–x)2Te3 by Composition Tuning", Nature Nanotech. 6, 705 (2011).
14) W. H. Wan, Q. F. Zhang, Y. Cui, E. G. Wang, “First Principles Study of Lithium Insertion in Bulk Silicon”, J. Phys.: Condens. Matter 22, 415501 (2010).