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The Journal of Physical Chemistry Letters|January 27, 2023
Prediction and Characterization of Two-Dimensional Zn2VN3Andrey A Kistanov, Stepan A Shcherbinin, Elena A Korznikova, et al.Journal of the American Chemical Society|March 6, 2026
Charge Loss in Hybrid Metal Halide Perovskites from Hydrogen Defects: Machine Learning Aided Nonadiabatic Molecular DynamicsLinyu Bai, Zihang Liu, Wei-Hai Fang, et al.Nano Letters|July 17, 2008
Uniform diffusion of acetonitrile inside carbon nanotubes favors supercapacitor performanceOleg N Kalugin, Vitaly V Chaban, Valentin V Loskutov, et al.The Journal of Chemical Physics|February 17, 2020
Pb dimerization greatly accelerates charge losses in MAPbI3: Time-domain ab initio analysisZhaosheng Zhang, Lu Qiao, Carlos Mora-Perez, et al.JACS Au|January 31, 2022
CO Adsorbate Promotes Polaron Photoactivity on the Reduced Rutile TiO2(110) SurfaceCheng Cheng, Yonghao Zhu, Wei-Hai Fang, et al.Journal of the American Chemical Society|July 8, 2025
Passivation of Hydrogen Interstitials in Metal Halide Perovskites: A Time-Domain Ab Initio StudyXinbo Ma, Zihang Liu, Wei-Hai Fang, et al.The Journal of Physical Chemistry Letters|August 28, 2023
Disorder and Photogeneration Efficiency in Organic SemiconductorsArtem V Toropin, Vladimir R Nikitenko, Nikolai A Korolev, et al.The Journal of Physical Chemistry Letters|November 21, 2023
Lattice Distortion and Low-Frequency Anharmonic Phonons Suppress Charge Recombination in Lead Halide Perovskites upon Pseudohalide Doping: Time-Domain Ab Initio AnalysisTeng-Fei Lu, Weibin Chu, Sraddha Agrawal, et al.The Journal of Physical Chemistry Letters|December 13, 2021
Significance of the Chemical Environment of an Element in Nonadiabatic Molecular Dynamics: Feature Selection and Dimensionality Reduction with Machine LearningWei Bin How, Bipeng Wang, Weibin Chu, et al.The Journal of Physical Chemistry Letters|May 20, 2020
MAI Termination Favors Efficient Hole Extraction and Slow Charge Recombination at the MAPbI3/CuSCN HeterojunctionJinlu He, David Casanova, Wei-Hai Fang, et al.Pageof 56