{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Yan H"],"funding":["Fundamental Research Funds for the Central Universities","National Natural Science Foundation of China"],"pagination":["958-964"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9048232"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["10(2)"],"pubmed_abstract":["Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br<sub>6-<i>y</i></sub> 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 Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br<sub>6-<i>y</i></sub> do not perform well, and the reasons for their low efficiency are still unclear. Herein, hot carrier relaxation processes in Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br<sub>6-<i>y</i></sub> (<i>y</i> = 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 Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br"],"journal":["RSC advances"],"pubmed_title":["Hot carrier relaxation in Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br<sub>6-<i>y</i></sub> (<i>y</i> = 0, 2 and 6) by a time-domain <i>ab initio</i> study."],"pmcid":["PMC9048232"],"funding_grant_id":["2015ZZD03","91333122","2016JQ01","11504107","51402106","2015ZD07","51372082"],"pubmed_authors":["Li X","Li Y","Wang B","Yan H","Li M"],"additional_accession":[]},"is_claimable":false,"name":"Hot carrier relaxation in Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br<sub>6-<i>y</i></sub> (<i>y</i> = 0, 2 and 6) by a time-domain <i>ab initio</i> study.","description":"Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br<sub>6-<i>y</i></sub> 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 Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br<sub>6-<i>y</i></sub> do not perform well, and the reasons for their low efficiency are still unclear. Herein, hot carrier relaxation processes in Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br<sub>6-<i>y</i></sub> (<i>y</i> = 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 Cs<sub>2</sub>TiI <sub><i>y</i></sub> Br","dates":{"release":"2020-01-01T00:00:00Z","publication":"2020 Jan","modification":"2025-04-19T12:58:37.231Z","creation":"2024-10-15T19:15:53.14Z"},"accession":"S-EPMC9048232","cross_references":{"pubmed":["35494478"],"doi":["10.1039/c9ra06731k"]}}