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：
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”，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体系、钠电池电极材料体系、新型二维材料、拓扑绝缘体、全量子化计算等。主要成果包括：1）锂-硫电池电极材料的理论优化设计；2）钠离子电池性能优化与输运机制的理论发展；3）磁性二维材料的相变与铁磁性形成机制研究； 4）氢电池中氢原子核量子效应的研究和探索；5）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.、PNAS、Nano Lett.、Adv. Energy Mater.、ACS Nano等高影响力国际期刊发表论文。多次为Nature Commun.、Nano Lett.、Angew. Chem. Int. Ed.、Adv. Mater.、Adv. Energy Mater.等高水平期刊审稿。

主讲课程

1.量子力学与统计 32学时

2.新型材料的合成、性质、及其应用 32学时



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。研究领域包括先进能源材料、新型二维材料、拓扑绝缘体、全量子化计算等。



研究成果
(1) Xiao, Jiewen^(#)，Zhou, Guangmin，Chen, Hetian，Feng, Xiang，Legut, Dominik，Fan, Yanchen，Wang, Tianshuai，Cui, Yi，Zhang, Qianfan^(*)，Elaboration of Aggregated Polysulfide Phases: From Molecules to Large Clusters and Solid Phases, Nano Lett., 2019, DOI:10.1021/acs.nanolett.9b03297.
(2) Liu, Xiaopeng^(#)，Legut, Dominik，Zhang, Ruifeng，Wang, Tianshuai，Fan, Yanchen，Zhang, Qianfan^(*)，Tunable magnetic order in transition metal doped, layered, and anisotropic Bi₂O₂Se: Competition between exchange interaction mechanisms, Phys. Rev. B, 2019, 100: 054438.
(3) Fan, Yanchen^(#)，Liu, Shitai，Xiao, Jiewen，Wang, Tianshuai，Liu, Xiaopeng，Chen, Hetian，Gong, Yongji^(*)，Zhang, Qianfan^(*)，Altering polythiophene derivative substrates tocontrol the electrodeposition morphology of Au particles toward ultrafine nanoparticles, Chem. Commun., 2019, DOI: 10.1039/C9CC05682C.
(4) Zhai, Pengbo^(#)，Wang, Tianshuai^(#)，Yang, Weiwei，Cui, Shiqiang，Zhang, Peng，Nie, Anmin，Zhang, Qianfan^(*)，Gong, Yongji^(*) Uniform Lithium Deposition Assisted by Single-Atom Doping toward High-Performance Lithium Metal Anodes, Adv. Energy Mater., 2019, 9: **.
(5) Wang, Tianshuai^(#)，Zhai, Pengbo^(#)，Legut, Dominik，Wang, Lei，Liu, Xiaopeng，Li, Bixuan，Dong, Chenxi，Fan, Yanchen，Gong, Yongji^(*)，Zhang, Qianfan^(*)，S-Doped Graphene-Regional Nucleation Mechanism for Dendrite-Free Lithium Metal Anodes, Adv. Energy Mater., 2019, 9: **.
(6) Wang, Tianshuai ^(#)，Qu, Jiale，Legut, Dominik，Qin, Jian，Li, Xifei，Zhang, Qianfan^(*)， Unique Double-Interstitialcy Mechanism and Interfacial Storage Mechanism in the Graphene/Metal Oxide as the Anode for Sodium-Ion Batteries, Nano Lett., 2019, 19: 3122-3130.
(7) Yang, Weiwei ^(#)，Xiao, Jiewen^(#)，Ma, Yang，Cui, Shiqiang，Zhang, Peng，Zhai, Pengbo， Meng, Lingjia，Wang, Xingguo，Wei, Yi，Du, Zhiguo，Li, Bixuan，Sun, Zhibo，Yang, Shubin，Zhang, Qianfan^(*)，Gong, Yongji ^(#)，Tin Intercalated Ultrathin MoO₃ Nanoribbons for Advanced Lithium-Sulfur Batteries, Adv. Energy Mater., 2019, 9: **.
(8) Zhu, Jinguo ^(#)，Li, Pengkun^(#)，Chen, Xiang，Legut, Dominik，Fan, Yanchen，Zhang, Ruifeng，Lu, Yingying，Cheng, Xinbing，Zhang, Qianfan^(*)，Rational design of graphitic-inorganic Bi-layer artificial SEI for stable lithium metal anode, Energy Storage Mater., 2019, 16: 426-433.
(9) Fan, Yanchen ^(#)，Chen, Xiang，Legut, Dominik，Zhang, Qianfan^(*)，Modeling and theoretical design of next-generation lithium metal batteries, Energy Storage Mater., 2019, 16: 169-193.
(10) Zhou, Yubing^(#)，Natarajan, Bharath^(#)，Fan, Yanchen^(#)，Xie, Hua，Yang, Chunpeng，Xu, Shaomao，Yao, Yonggang，Jiang, feng，Zhang, Qianfan^(*)，W. Gilman, Jeffrey^(*)，Hu, Liangbing^(*)，Tuning the High-Temperature Wetting Behavior of Metals toward Ultrafine Nanoparticles, Angew. Chem. Int. Ed., 2018, 130: 2655-2659.
(11) Lv, Kuilin ^(#)，Fan, Yanchen^(#)，Zhu, Ying，Yuan, Yi，Wang, Jinrong，Zhu, Ying^(*)，Zhang, Qianfan^(*)，Elastic Ag Anchored N-doped Graphene/Carbon Foam for the Selective Electrochemical Reduction of Carbon Dioxide to Ethanol, J. Mater. Chem. A, 2018, 6: 5025-5031.
(12) Li, Pengkun^(#)，Zhu, Jinguo，Albertus D. Handoko，Zhang, Ruifeng，Wang, Haotian， Legut, Dominik，Wen, Xiaodong，Fu, Zhongheng，Seh, Zhi Wei，Zhang, Qianfan^(*)，High-throughput theoretical optimization of the hydrogen evolution reaction on MXenes by transition metal modification, J. Mater. Chem. A, 2018, 6: 4271-4278.
(13) Zhou, Guangmin^(#)，Tian, Hongzhen，Jin, Yang，Tao, Xinyong，Liu, Bofei，Zhang, Rufan，Seh, Zhi Wei，Zhou, Denys，Liu, Yayuan，Sun, Jie，Zhao, Jie，Zu, Chenxi，Wu, David Sichen，Zhang, Qianfan^(*)，Cui, Yi^(*)，Catalytic oxidation of Li₂S on the surface of metal sulfides for Li?S batteries, Proc. Natl. Acad. Sci. U. S. A, 2017, 114: 840-845.
(14) Tian, Hongzhen^(#)，Seh, Zhi Wei，Yan, Kai，Fu, Zhongheng，Tang, Peng，Lu, Yingying，Zhang, Ruifeng，Legut, Dominik，Cui, Yi^(*)，Zhang, Qianfan^(*)，Theoretical Investigation of 2D Layered Materials as Protective Films for Lithium and Sodium Metal Anodes, Adv. Energy Mater., 2017, 7: 1602.
(15) Fu, Zhongheng^(#)，Zhang, Qianfan^(*)，Legut, Dominik，Si, Chen，Timothy, C Germann，Turab, Lookman，Du, Shiyu，Joseph, S. Francisco，Zhang, Ruifeng^(*)，Stabilization and strengthening effects of functional groups in two-dimensional titanium carbide, Phys. Rev. B, 2016, 94: 104103-104112.
(16) Zhang, Qianfan^(#)(*)，Wang, Yapeng，Seh, Zhi Wei，Fu, Zhongheng，Zhang, Ruifeng，Cui, Yi^(*)，Understanding the Anchoring Effect of Two-Dimensional Layered Materials for Lithium-Sulfur Batteries, Nano Lett., 2015, 15: 3780-3786.
(17) Seh, Zhi Wei，Yu, Jung Ho，Li, Weiyang，Hsu, Po-Chun，Wang, Haotian，Sun, Yongming，Yao, Hongbin，Zhang, Qianfan^(*)，Cui, Yi^(*)，Two-dimensional layered transition metal disulphides for effective encapsulation of high-capacity lithium sulphide cathodes, Nature Commun., 2014, 5: 5017.
(18) Wang, Haotian，Zhang, Qianfan^(*)，Yao, Hongbin，Liang, Zheng，Lee, Hyun-Wook，Hsu, Po-Chun，Zheng, Guangyuan，Cui, Yi^(*)，High Electrochemical Selectivity of Edge versus Terrace Sites in Two-Dimensional Layered MoS2 Materials, Nano Lett., 2014, 14, 7138-7144.
(19) Zhang, Qianfan^(#)，Wahnstrom, Goran，Bjorketun, Marten E，Gao, Shiwu，Wang, Enge，Path Integral Treatment of Proton Transport Processes in BaZrO₃, Phys. Rev. Lett., 2008, 101: 215902.
(20) Zhang, Qianfan^(#)，Zhang, Wenxing，Wan, Wenhui，Cui, Yi^(*)，Wang, Enge^(*)，Lithium Insertion In Silicon Nanowires: An ab Initio Study, Nano Lett., 2010, 10, 3243-3249.
(21) Zhang, Qianfan^(*)，Zhang, Zhiyong，Zhu, Zhiyong，Schwingenschloegl, Udo，Cui, Yi^(#)，Exotic Topological Insulator States and Topological Phase Transitions in Sb₂Se₃-Bi₂Se₃ Heterostructures, ACS Nano, 2010, 6, 2345-2352.