See full list for publications. Lei Wei, Shitao Wu, Chengji Li, Hao Chen, Yue-Biao Zhang*, Fan Zheng*, Yanhang Ma*, Yingbo Zhao*, “Dimensionality and Molecular Packing Control of Covalent Organic Frameworks through Pendant Group Design”, J. Am. Chem. Soc., 146, 31384 (2024) [html] Xincan Cai, Pu Yan, Tianye Xie, Yifan Wu, Caihong Zheng, Rongliang Shang, ShuaiShuai Yin, Yue Zhang, Fan Zheng, Xuerong Liu, Jin Xie, “Pinning the surface layered oxide structure in high temperature calcination using conformal atomic layer deposition coating for fast charging cathode”, Adv. Funct. Mater., 2423888 (2024) [html] Hongxi Shi, Tianye Xie, Denggao Li, Ziyu Li, Zhijia Chen, Chenyu Wang, Hao Huang, Shihua Huang, Zhangbo lu, Fan Zheng*, Dan Chi*, “Defect passivation engineering for achieving 4.29% light utilization efficiency MA-free wide-bandgap semi-transparent perovskite solar cells”, Chemical Engineering Journal, 500, 156962 (2024) [html] Amy S. McKeown-Green, Helen J. Zeng, Ashley P. Saunders, Jiayi Li, Jenny Hu, Jiaojian Shi, Yuejun Shen, Feng Pan, Jennifer A. Dionne, Tony F. Heinz, Stephen Wu, Fan Zheng, Fang Liu, “Millimeter-scale Exfoliation of hBN with Tunable Flake Thickness for Scalable Encapsulation”, ACS Applied Nano Materials, 7, 6574 (2024) [html] Mingyu Ma, Xianyuan Jiang, Zihao Zang, Xin Wen, Wei Zhou, Haobo Wu, Si Peng, Yunlong Liu, Hansheng Li, Danni Yu, Hao Liang, Hao Wang, Wenjia Zhou, Zhenhuang Su, Fan Zheng, Xingyu Gao, Alexei V. Emeline, Constantinos C. Stoumpos, Zhijun Ning, “Suppressing Fluoride Segregation for High Efficiency Tin Perovskite Solar Cells”, Advanced Functional Materials, 34, 2407095 (2024) [html] Xianyuan Jiang, Qilin Zhou, Yue Lu, Hao Liang, Wenzhuo Li, Qi Wei, Mengling Pan, Xin Wen, Xingzhi Wang, Wei Zhou, Danni Yu, Hao Wang, Ni Yin, Hao Chen, Hansheng Li, Ting Pan, Mingyu Ma, Gaoqi Liu, Wenjia Zhou, Zhenhuang Su, Qi Chen, Fengjia Fan, Fan Zheng, Xingyu Gao, Qingqing Ji, Zhijun Ning, “Surface heterojunction based on n-type low dimensional perovskite film for highly efficient perovskite tandem solar cells”, National Science Review, nwae055, (2024) [html] Caihong Zheng, Fan Zheng, “Carrier Transport in 2D Hybrid Organic-Inorganic Perovskites: The Role of Spacer Molecules”, J. Phys. Chem. Lett., 15, 1254 (2024) [html] Danni Yu, Mengling Pan, Gaoqi Liu, Xianyuan Jiang, Xin Wen, Wenzhuo Li, Shaojie Chen, Wenjia Zhou, Hao Wang, Yue Lu, Mingyu Ma, Zihao Zang, Peihong Cheng, Qingqing Ji, Fan Zheng, Zhijun Ning, “Electron-withdrawing organic ligand for high efficiency all-perovskite tandem solar cells”, Nat. Energy, 9, 298 (2024) [html] Fan Zheng, Lin-Wang Wang, “A multi-k non-adiabatic molecular dynamics for periodic systems”, Phys. Rev. Lett., 131, 156302 (2023) [html] Xincan Cai, Zihan Wang, Yurui Xing, Caihong Zheng, Pu Yan, Wenda Bao, Tianye Xie, Yuxiong Hu, Yingdong Deng, Yue Zhang, Yifan Wu, Shaoyu Yang, Fan Zheng, Hongti Zhang, Zhu-Jun Wang, Jin Xie, “Promotion of the Nucleation of Ultrafine Ni-Rich Layered Oxide Primary Particles by an Atomic Layer-Deposited Thin Film for Enhanced Mechanical Stability”, Nano Letters, 23, 5770 (2023) [html] 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 |
