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Articles by Bipeng Wang
High-Pressure Phase Transition of Metastable Wurtzite-Like CuInSe2 Nanocrystals
Chemistry of Materials Cite this: Chem. Mater. 2025, XXXX, XXX Click to copy citationCitation copied! . This publication is licensed under CC-BY-NC-ND 4.0 . You are free to share (copy and redistribute) this article in any medium or format within the parameters below: Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted.
Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics
1. Introduction Click to copy section linkSection link copied! Lead halide perovskites have garnered significant interest due to their exceptional capabilities in energy conversion and generation, making them valuable materials for a wide range of optoelectronic and photovoltaic applications, such as solar cells, (1−3) light-emitting diodes, (4) and photodetectors.
Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics
1. Introduction Click to copy section linkSection link copied! Lead halide perovskites have garnered significant interest due to their exceptional capabilities in energy conversion and generation, making them valuable materials for a wide range of optoelectronic and photovoltaic applications, such as solar cells, (1−3) light-emitting diodes, (4) and photodetectors.
Band Gap Narrowing in Lead-Halide Perovskites by Dynamic Defect Self-Doping for Enhanced Light Absorption and Energy Upconversion
Introduction Click to copy section linkSection link copied! Metal halide perovskites (MHPs) based solar energy technologies have advanced substantially in the photovoltaic community. (1−12) The certified power conversion efficiency (PCE) of perovskite solar cells has rapidly exceeded 25% over the past decade, surpassing both traditional and emerging solar cells.
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Inverse Fast Fourier Transform
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. Lett. 2022, XXXX, XXX RETURN TO ARTICLES ASAPPREVPhysical Insights in...Physical Insights into Quantum Phenomena and FunctionNEXT Bipeng Wang, Weibin Chu, and Oleg V. Prezhdo* Oleg V.
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Artificial Neural Networks
Nonadiabatic (NA) molecular dynamics (MD) allows one to study far-from-equilibrium processes involving excited electronic states coupled to atomic motions. While NAMD involves expensive calculations of excitation energies and NA couplings (NACs), ground-state properties require much less effort and can be obtained with machine learning (ML) at a fraction of the ab initio cost.
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