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Oct 19, 2022 - Facultad de Ciencias
Menéndez-Proupin, Eduardo;Grover, Shivani;Montero-Alejo, Ana L.;Midgley, Scott D.;Butler, Keith T.;Grau-Crespo, Ricardo, 2021, "Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study", https://doi.org/10.34691/FK2/PXNHBG, Repositorio de datos de investigación de la Universidad de Chile, V2
Data of a molecular dynamics simulation of the mixed cation and mixed halide perovskite (FAPbI3)0.875(MAPbBr3)0.125 , as well as the end compounds FAPbI3 and MAPbBr3.
Nov 22, 2021 - Facultad de Ciencias
Menéndez-Proupin, Eduardo;Grau Crespo, Ricardo, 2021, "Molecular dynamics of halide perovskite alloys", https://doi.org/10.34691/FK2/Z5CFN9, Repositorio de datos de investigación de la Universidad de Chile, V1
MD simulations run with the CP2K code.
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