Charge Loss in Hybrid Metal Halide Perovskites from Hydrogen Defects: Machine Learning Aided Nonadiabatic Molecular Dynamics

L Linyu Bai (College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education) Z Zihang Liu (School of Life Science and Engineering) W Wei-Hai Fang O Oleg V. Prezhdo (Department of Chemistry and Chemical Biology) R Run Long

Article Details

Volume / Issue Vol. 148, Issue 10
Published March 18, 2026
Pages 10544-10553
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (5)

L

Linyu Bai

College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education

Z

Zihang Liu

School of Life Science and Engineering

W

Wei-Hai Fang

O

Oleg V. Prezhdo

Department of Chemistry and Chemical Biology

R

Run Long