Seefull list for publications. F. Zheng, L.-W. Wang, A multi k-point nonadiabatic molecular dynamics for periodic systems”, arXiv:2209.10739, (2022) 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 |
