Rapid decoherence suppresses charge recombination in multi-layer 2D halide perovskites: Time-domain ab initio analysis Z Zhang, WH Fang, MV Tokina, R Long, OV Prezhdo Nano letters 18 (4), 2459-2466, 2018 | 119 | 2018 |
Exciton dissociation and suppressed charge recombination at 2D perovskite edges: key roles of unsaturated halide bonds and thermal disorder Z Zhang, WH Fang, R Long, OV Prezhdo Journal of the American Chemical Society 141 (39), 15557-15566, 2019 | 110 | 2019 |
Plasmon-mediated electron injection from Au nanorods into MoS2: traditional versus photoexcitation mechanism Z Zhang, L Liu, WH Fang, R Long, MV Tokina, OV Prezhdo Chem 4 (5), 1112-1127, 2018 | 77 | 2018 |
Interplay between Localized and Free Charge Carriers Can Explain Hot Fluorescence in the CH3NH3PbBr3 Perovskite: Time-Domain Ab Initio Analysis Z Zhang, R Long, MV Tokina, OV Prezhdo Journal of the American Chemical Society 139 (48), 17327-17333, 2017 | 74 | 2017 |
Doping-induced rapid decoherence suppresses charge recombination in mono/divalent cation mixed perovskites from nonadiabatic molecular dynamics simulation Z Zhang, R Long The Journal of Physical Chemistry Letters 10 (12), 3433-3439, 2019 | 24 | 2019 |
Doping-induced charge localization suppresses electron–hole recombination in copper zinc tin sulfide: quantum dynamics combined with deep neural networks analysis Z Zhang, Y Zhang, J Wang, J Xu, R Long The Journal of Physical Chemistry Letters 12 (2), 835-842, 2021 | 16 | 2021 |
Pb dimerization greatly accelerates charge losses in MAPbI3: Time-domain ab initio analysis Z Zhang, L Qiao, C Mora-Perez, R Long, OV Prezhdo The Journal of Chemical Physics 152 (6), 2020 | 15 | 2020 |
Charge Recombination Dynamics in a Metal Halide Perovskite Simulated by Nonadiabatic Molecular Dynamics Combined with Machine Learning Z Zhang, J Wang, Y Zhang, J Xu, R Long The Journal of Physical Chemistry Letters 13 (46), 10734-10740, 2022 | 9 | 2022 |
Ultrafast Charge Separation and Recombination across a Molecule/CsPbBr3 Quantum Dot Interface from First-Principles Nonadiabatic Molecular Dynamics … Z Zhang, J He, R Long The Journal of Physical Chemistry C 123 (39), 23800-23806, 2019 | 8 | 2019 |
Sulfur-Vacancy Passivation via Selenium Doping in Sb2S3 Solar Cells: Density Functional Theory Analysis Z Zhang The Journal of Physical Chemistry C 126 (49), 20786-20792, 2022 | 4 | 2022 |
Automated Graph Neural Networks Accelerate the Screening of Optoelectronic Properties of Metal–Organic Frameworks Z Zhang The Journal of Physical Chemistry Letters 14 (5), 1239-1245, 2023 | 3 | 2023 |
Integrative approach of machine learning and symbolic regression for stability prediction of multicomponent perovskite oxides and high-throughput screening Z Zhang, Y Zhang, S Liu Computational Materials Science 236, 112889, 2024 | 1 | 2024 |
Refining DIIS algorithms for Si and GaAs solar cells: incorporation of weight regularization, conjugate gradient, and reverse automatic differentiation techniques Z Zhang, S Liu, Y Zhang Physical Chemistry Chemical Physics 26 (16), 12717-12724, 2024 | | 2024 |
Metal Halide Perovskite Nanotubes for High-Performance Solar Cells with Ab Initio Analysis Z Zhang The Journal of Physical Chemistry Letters 14 (22), 5155-5162, 2023 | | 2023 |