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Unravelling the effects of oxidation state of interstitial iodine and oxygen passivation on charge trapping and recombination in CH(3)NH(3)PbI(3) perovskite: a time-domain ab initio study
Understanding nonradiative charge recombination mechanisms is a prerequisite for advancing perovskite solar cells. By performing time-domain density functional theory combined with nonadiabatic (NA) molecular dynamics simulations, we show that electron–hole recombination in perovskites strongly depe...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6991187/ https://www.ncbi.nlm.nih.gov/pubmed/32055362 http://dx.doi.org/10.1039/c9sc02353d |