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dft u.tar.bz2Version 3.1

This file is part of "Interfaces of perovskite methylammonium lead iodide with cuprous oxide".

Dataset Citation
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, V3
File Citation
Castellanos-Águila, Jesús E.;Lodeiro, Lucas;Menéndez-Proupin, Eduardo;Montero-Alejo, Ana L.;Palacios, Pablo;Conesa, J. C.;Wahnón, Perla, 2020, "dft u.tar.bz2", Interfaces of perovskite methylammonium lead iodide with cuprous oxide, https://doi.org/10.34691/FK2/NYDJ5T/BGMMKQ, Repositorio de datos de investigación de la Universidad de Chile, V3
application/x-bzip2 - 277.5 MB - Last Updated: May 14, 2020
MD5: 915bcce43cf48a1ac74f6b5b13b1e9e4
DFT+U calculations setting U-J=7eV for Cu 3d orbitals. This was done to explore possible configurations with Cu(2+).
File Metadata  
doi:10.34691/FK2/NYDJ5T/BGMMKQ
915bcce43cf48a1ac74f6b5b13b1e9e4
2020-05-14
277.5 MB
application/x-bzip2
DFT+U calculations setting U-J=7eV for Cu 3d orbitals. This was done to explore possible configurations with Cu(2+).
2020-04-20
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