1 a 4 de 4 Resultados
25 ene. 2024 - Facultad de Ciencias
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, Repositorio de datos de investigación de la Universidad de Chile, V2
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. |
12 abr. 2023 - Facultad de Ciencias
Menéndez-Proupin, Eduardo; Santander, Carlos, 2023, "Data supporting Modification of interfaces MAPI/Cu2O by elemental substitution", https://doi.org/10.34691/FK2/VOOFPA, Repositorio de datos de investigación de la Universidad de Chile, V1
Files of computational simulation of interfaces MAPI/Cu2O. VASP and CP2K files. |
11 abr. 2023 - 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, 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. |
30 mar. 2023
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