Hot carrier relaxation in Cs₂TiI _y Br_6-y (y = 0, 2 and 6) by a time-domain ab initio study.

ABSTRACT: Cs₂TiI _y Br_6-y is a potential light absorption material for all-inorganic lead free perovskite solar cells due to its suitable and tunable bandgap, high optical absorption coefficient and high environmental stability. However, solar cells fabricated based on Cs₂TiI _y Br_6-y do not perform well, and the reasons for their low efficiency are still unclear. Herein, hot carrier relaxation processes in Cs₂TiI _y Br_6-y (y = 0, 2 and 6) were investigated by a time-domain density functional theory combined with the non-adiabatic molecular dynamics method. It was found that the relaxation time of the hot carriers in Cs₂TiI _y Br

SUBMITTER: Yan H 

PROVIDER: S-EPMC9048232 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature