Autor Nombre: Menéndez-Proupin, Eduardo
Palabra clave Término: density functional theory
Materia: Engineering
Palabra clave Término: interfaces
1 a 1 de 1 Resultado
25 ene. 2024
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. |