Open AccessAn Ab Initio Molecular Dynamics Study of the Mechanism and Rate of Dye Regeneration by Iodide Ions in Dye-Sensitized Solar Cells
Author(s) -
Lanlan He,
Yu Guo,
Lars Kloo
Publication year - 2022
Publication title -
acs sustainable chemistry and engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.878
H-Index - 109
ISSN - 2168-0485
DOI - 10.1021/acssuschemeng.1c08101
Subject(s) - iodide , chemistry , ion , ab initio , photochemistry , electron transfer , electrolyte , population , density functional theory , mulliken population analysis , triphenylamine , chemical physics , molecular dynamics , computational chemistry , inorganic chemistry , organic chemistry , demography , electrode , sociology