外围投注

外围投注:郑帆

时间:2021-07-05浏览:1796设置

郑帆课题组介绍

课题组长  研究介绍  发表论文  本组成员

 

郑帆,助理教授、研究员

通讯地址:外围投注4号楼105

电子邮件:zhengfan@shanghaitech.edu.cn

个人主页:https://zhengfann.github.io/

个人简历:

2006-2010 中国科学技术大学化学物理系 本科

2010-2016 美国宾西法尼亚大学化学系 博士

2016-2021 美国劳伦斯国家实验室 博士后

2021.9 外围投注 助理教授,研究员

 

 

课题组利用第一性原理和多尺度方法,模拟复杂体系中激发态载流子随时间演化过程。通过对太阳能电池,锂硫电池,和量子材料等中载流子运动的探索,从而提高器件的性能、设计新的高效材料:


  • 新型钙钛矿太阳能电池热载流子冷却和大型极化子

  • 材料界面和表面电荷传输的过程

  • 低维钙钛矿材料

  • 第一性原理计算等离激元(plasmon)对于于催化反应的应用

  • 二维纳米材料自旋演化过程


课题组经费充足,长期诚聘博士后研究员、硕博连读研究生。对计算材料学感兴趣的学者和学生,欢迎发邮件咨询和面谈(zhengfan@shanghaitech.edu.cn)。博士后咨询请简单介绍研究兴趣并附上CV。


 

 

See Google Scholar for full publications.

  • G. Liu, F. Zheng, J. Li, G. Zeng, Y. Ye, D. Larson, J. Yano, E. Crumlin, J. Ager, L.-W. Wang, F. M. Toma, Investigation and mitigation of degradation mechanisms in Cu2O photoelectrodes for CO2 reduction to ethylene”, Nature Energy, accepted (2021)   

  • D. Kim, S. Yu, F. Zheng, I. Roh, Y. Li, S. Louisia, Z. Qi, G. A. Somorjai, H. Frei, L.-W. Wang, and P. Yang, “Selective CO2 electrocatalysis at the pseudocapacitive nanoparticle/ordered-ligand interlayer”, Nature Energy, 5,  1032 (2020)   [html]

  • F. Zheng,   L.-W. Wang, “Exploring non-adiabaticity to CO reduction reaction through ab initio molecular dynamics  simulation”, APL Materials, 8, 041115 (2020)   [html]

  • Y. Zhang, J. Kang, F. Zheng, P. Gao, S. Zhang, L.-W.   Wang, “Borophosphene: a New Anisotropic Dirac Cone  Monolayer with High Fermi   Velocity and Unique Feature of Self-Doping”, J. Phys. Chem. Lett., 10,   6656 (2019)  [html]

  • F. Zheng, L.-W.   Wang, “Ultrafast Hot Carrier Injection in Au/GaN: The Role of Band Bending and the Interface  Band Structure”, J. Phys. Chem. Lett, ASAP (2019) [html][pdf]

  • W. Bao, X. Liu, F. X., F. Zheng,   R. Tao, S. Wang, Y. Xia, M. Zhao, J. Kim, S. Yang, Q. Li, Y. Wang, Y. Wang,   L.-W. Wang, A. H. MacDonald, and X. Zhang, “Observation of Rydberg exciton polaritons and their condensate in a  perovskite cavity”, PNAS, 201909948   (2019) [html]

  • F. Zheng, L.-W.   Wang, “Large polaron formation and its effect to electron transport in CH3NH3PbI3”, Energy &  Environmental Science, 12, 1219 (2019) [html][pdf]

  • Y. Liu, F. Zheng, X. Jiang,   J.-W. Luo, S.-S. Li, L.-W. Wang, “Ab initio investigation of charge trapping across the  crystalline-Si/amorphous-SiO2 interfac”, Phys. Rev. Applied,   11, 044058 (2019) [html][pdf]

  • G. Gao, F. Zheng, F. Pan,   L.-W. Wang, “Theoretical Investigation of 2D Conductive Microporous Coordination Polymers as Li-S Battery Cathode with Ultrahigh Energy Densiy”, Advanced Energy Materials, 8, 1801823, (2018)[html][pdf]

  • Shi-Jing Gong, F. Zheng, A.   M. Rappe, “Phonon Influence on Bulk Photovoltaic Effect in the Ferroelectric Semiconductor GeTe”, Phys. Rev. Lett., 121, 017402 (2018) [html][pdf]

  • L. You*, F. Zheng*, L. Fang,   Y. Zhou, L. Z. Tan, Z. Zhang, G. Ma, D. Schmidt, A. Rusydi, L. Wang, L. Chang, A.  M. Rappe, J. Wang, “Enhancing ferroelectric photovoltaic effect by polar order engineering”, Science Advances, 4, eaat3438 (2018) [html][pdf]

  • F. Zheng, H. Pham, and L.-W. Wang, “Effects of the c-Si/a-SiO2 interfacial atomic structure on its band alignment: an  ab initio study”, Phys. Chem. Chem. Phys. 19   32617 (2017) [html][pdf]

  • F. Zheng, J. Tao,   and A. M. Rappe, “Frequency-dependent dielectric function of semiconductors with application to  physisorption”, Phys. Rev. B 95, 035203 (2017) [html][pdf]

  • F. Zheng*, S. Liu*,   A. M. Rappe, “Giant Bulk Photovoltaic Effect in Vinylene-Linked Hybrid Heterocyclic  Polymer”, J. Phys. Chem. C, 121, 6500 (2017) [html][pdf]

  • J. Tao, F. Zheng, J.   Gebhardt, A. M. Rappe, “Screened van der Waals correction to density functional theory for  solids”, Phys. Rev. Mat., 1, 020802 (R) (2017) [html][pdf]

  • L. Z. Tan, F. Zheng, A. M.   Rappe, “Intermolecular Interactions in Hybrid Perovskites Understood from a Combined  Density Functional Theory and Effective Hamiltonian Approach”, ACS Energy Lett., 2, 937 (2017) [html][pdf]

  • O. Yaffe, Y. Guo, L. Z. Tan, D. A   Egger, T. Hull, C. C Stoumpos, F. Zheng, T. F Heinz, L. Kronik, M. G Kanatzidis,  J. S Owen, A. M Rappe, M. A Pimenta, L. E Brus, “Local polar fluctuations in lead halide perovskite crystals”, Phys.  Rev. Lett., 118, 136001 (2017)   [html][pdf]

  • F. Zheng, J. A.   Brehm, S. M. Young, Y. Kim and A. M. Rappe, “Substantial Optical Dielectric Enhancement by  Volume Compression in LiAsSe2”,Phys. Rev. B 93, 195210   (2016) [html][pdf]

  • S. Liu, F. Zheng, I.   Grinberg, and A. M. Rappe, “Photoferroelectric and Photopiezoelectric Properties of  Organometal Halide Perovskites”, J. Phys. Chem. Lett. 7,  1460 (2016) [html][pdf]

  • F. Wang, S. M. Young, F. Zheng,   I. Grinberg, and A. M. Rappe, “Substantial Bulk Photovoltaic Effect Enhancement  via Nanolayering”, Nat. Commun. 7:10419 (2016) [html][pdf]

  • L. Z. Tan, F. Zheng, S. M.   Young, F. Wang, S. Liu, A. M. Rappe, “Shift current bulk photovoltaic effect in polar  materials hybrid and oxide perovskites and beyond”, npj Computational Materials, 2, 16026 (2016) [html][pdf]

  • F. Zheng, D.   Saldana-Greco, S. Liu, A. M. Rappe, “Material Innovation in Advancing Organometal Halide  Perovskite Functionality”, J. Phys. Chem. Lett. 6,   4862 (2015) [html][pdf]

  • S. M. Young, F. Zheng, A. M.   Rappe, “First-principles Material Design of High-Performing Bulk Photovoltaics with  the LiNbO3 Structure”, Phys. Rev. Applied 4, 054004   (2015) [html][pdf]

  • F. Zheng, L. Z. Tan,   S. Liu, and A. M. Rappe, “Rashba Spin-Orbit Coupling Enhanced Carrier Lifetime in  CH3NH3PbI3”, Nano. Lett., 15, 7794 (2015) [html][pdf]

  • J. Tao. S. Liu, F. Zheng, and   A. M. Rappe, “Quantum Pressure and Chemical Bonding: Influence of Magnetic Fields  on Electron Localization”, Phys. Rev. B Rapid Comm. 92, 060401   (2015) [html][pdf]

  • S. Liu, F. Zheng, N. Z.   Koocher, H. Takenaka, F. Wang, and A. M. Rappe, “Ferroelectric Domain Wall Induced Band  Gap Reduction and Charge Separation in Organometal Halide   Perovskite”, J. Phys. Chem. Lett. 6, 693 (2015)[html][pdf]

  • F. Zheng, H.   Takenaka, F. Wang, N. Z. Koocher, and A. M. Rappe, “First-principles Calculations of the Bulk  Photovoltaic Effect in CH3NH3PbI3 and   CH3NH3PbI3-xClx”, J. Phys. Chem. Lett. 6, 31 (2015) [html][pdf]

  • J. A. Brehm, S. M. Young, F.   Zheng, and A. M. Rappe, “First-principles calculation of the bulk photovoltaic effect in the polar compounds LiAsS2, LiAsSe2, and NaAsSe2”, J. Chem. Phys. 141, 204704 (2014) [html][pdf]

  • S. M. Young, F. Zheng, and A.   M. Rappe, “Prediction of a Linear Spin Bulk Photovoltaic Effect in  Antiferromagnets”, Phys. Rev. Lett. 110, 057201 (2013) [html] [pdf]

  • S. M. Young, F. Zheng, and A.   M. Rappe, “First-Principles Calculation of the Bulk Photovoltaic Effect in Bismuth  Ferrite”, Phys. Rev. Lett. 109, 236601 (2012) [html] [pdf]

*   Equally contributed

 


郑彩虹

硕士研究生

邮箱:zhengch1@shanghaitech.edu.cn

谢天烨

硕士研究生

邮箱:xiety@shanghaitech.edu.cn



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