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Nov 19, 2021
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, V1
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.
Jan 4, 2021
Castellanos-Águila, Jesús E.;Lodeiro, Lucas;Menéndez-Proupin, Eduardo;Montero-Alejo, Ana L.;Palacios, Pablo;Conesa, J. C.;Wahnón, Perla, 2020, "Interfaces of perovskite methylammonium lead iodide with cuprous oxide", https://doi.org/10.34691/FK2/NYDJ5T, Universidad de Chile, V3
Key input and output files of quantum mechanical calculations of electronic states of interfaces of Cu2O with CH3NH3PbI3. Coordinate files a supplied for different interface models, as well as input and output files for the VASP package.
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