{"@context":"http://schema.org","@type":"Dataset","@id":"https://doi.org/10.34691/FK2/NYDJ5T","identifier":"https://doi.org/10.34691/FK2/NYDJ5T","name":"Interfaces of perovskite methylammonium lead iodide with cuprous oxide","creator":[{"@type":"Person","givenName":"Jesús E.","familyName":"Castellanos-Águila","affiliation":{"@type":"Organization","name":"Universidad de Guanajuato"},"sameAs":"https://orcid.org/0000-0002-9286-1814","@id":"https://orcid.org/0000-0002-9286-1814","identifier":"https://orcid.org/0000-0002-9286-1814","name":"Castellanos-Águila, Jesús E."},{"@type":"Person","givenName":"Lucas","familyName":"Lodeiro","affiliation":{"@type":"Organization","name":"Facultad de Ciencias, Universidad de Chile"},"sameAs":"https://orcid.org/0000-0001-5073-641X","@id":"https://orcid.org/0000-0001-5073-641X","identifier":"https://orcid.org/0000-0001-5073-641X","name":"Lodeiro, Lucas"},{"@type":"Person","givenName":"Eduardo","familyName":"Menéndez-Proupin","affiliation":{"@type":"Organization","name":"Facultad de Ciencias, Universidad de Chile"},"sameAs":"https://orcid.org/0000-0001-7534-8464","@id":"https://orcid.org/0000-0001-7534-8464","identifier":"https://orcid.org/0000-0001-7534-8464","name":"Menéndez-Proupin, Eduardo"},{"@type":"Person","givenName":"Ana L.","familyName":"Montero-Alejo","affiliation":{"@type":"Organization","name":"FCNMM, Universidad Tecnológica Metropolitana"},"sameAs":"https://orcid.org/0000-0003-1675-0546","@id":"https://orcid.org/0000-0003-1675-0546","identifier":"https://orcid.org/0000-0003-1675-0546","name":"Montero-Alejo, Ana L."},{"@type":"Person","givenName":"Pablo","familyName":"Palacios","affiliation":{"@type":"Organization","name":"Universidad Politécnica de Madrid"},"sameAs":"https://orcid.org/0000-0001-7867-8880","@id":"https://orcid.org/0000-0001-7867-8880","identifier":"https://orcid.org/0000-0001-7867-8880","name":"Palacios, Pablo"},{"@type":"Person","affiliation":{"@type":"Organization","name":"Instituto de Catálisis y Petroleoquímica, CSIC"},"sameAs":"https://orcid.org/0000-0001-9906-8520","@id":"https://orcid.org/0000-0001-9906-8520","identifier":"https://orcid.org/0000-0001-9906-8520","name":"Conesa, J. C."},{"@type":"Person","givenName":"Perla","familyName":"Wahnón","affiliation":{"@type":"Organization","name":"Universidad Politécnica de Madrid"},"sameAs":"https://orcid.org/0000-0002-5420-2906","@id":"https://orcid.org/0000-0002-5420-2906","identifier":"https://orcid.org/0000-0002-5420-2906","name":"Wahnón, Perla"}],"author":[{"@type":"Person","givenName":"Jesús E.","familyName":"Castellanos-Águila","affiliation":{"@type":"Organization","name":"Universidad de Guanajuato"},"sameAs":"https://orcid.org/0000-0002-9286-1814","@id":"https://orcid.org/0000-0002-9286-1814","identifier":"https://orcid.org/0000-0002-9286-1814","name":"Castellanos-Águila, Jesús E."},{"@type":"Person","givenName":"Lucas","familyName":"Lodeiro","affiliation":{"@type":"Organization","name":"Facultad de Ciencias, Universidad de Chile"},"sameAs":"https://orcid.org/0000-0001-5073-641X","@id":"https://orcid.org/0000-0001-5073-641X","identifier":"https://orcid.org/0000-0001-5073-641X","name":"Lodeiro, Lucas"},{"@type":"Person","givenName":"Eduardo","familyName":"Menéndez-Proupin","affiliation":{"@type":"Organization","name":"Facultad de Ciencias, Universidad de Chile"},"sameAs":"https://orcid.org/0000-0001-7534-8464","@id":"https://orcid.org/0000-0001-7534-8464","identifier":"https://orcid.org/0000-0001-7534-8464","name":"Menéndez-Proupin, Eduardo"},{"@type":"Person","givenName":"Ana L.","familyName":"Montero-Alejo","affiliation":{"@type":"Organization","name":"FCNMM, Universidad Tecnológica Metropolitana"},"sameAs":"https://orcid.org/0000-0003-1675-0546","@id":"https://orcid.org/0000-0003-1675-0546","identifier":"https://orcid.org/0000-0003-1675-0546","name":"Montero-Alejo, Ana L."},{"@type":"Person","givenName":"Pablo","familyName":"Palacios","affiliation":{"@type":"Organization","name":"Universidad Politécnica de Madrid"},"sameAs":"https://orcid.org/0000-0001-7867-8880","@id":"https://orcid.org/0000-0001-7867-8880","identifier":"https://orcid.org/0000-0001-7867-8880","name":"Palacios, Pablo"},{"@type":"Person","affiliation":{"@type":"Organization","name":"Instituto de Catálisis y Petroleoquímica, CSIC"},"sameAs":"https://orcid.org/0000-0001-9906-8520","@id":"https://orcid.org/0000-0001-9906-8520","identifier":"https://orcid.org/0000-0001-9906-8520","name":"Conesa, J. C."},{"@type":"Person","givenName":"Perla","familyName":"Wahnón","affiliation":{"@type":"Organization","name":"Universidad Politécnica de Madrid"},"sameAs":"https://orcid.org/0000-0002-5420-2906","@id":"https://orcid.org/0000-0002-5420-2906","identifier":"https://orcid.org/0000-0002-5420-2906","name":"Wahnón, Perla"}],"datePublished":"2020-03-11","dateModified":"2024-01-25","version":"2","description":"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.","keywords":["Chemistry","Engineering","Physics","perovskite solar cells","density functional theory","interfaces","hole transport layer"],"citation":[{"@type":"CreativeWork","name":"Atomic scale model and electronic structure of Cu2O/CH3NH3PbI3 interfaces in perovskite solar cells, ACS Appl. Mater. Interfaces 12, 44648-44657 (2020)","@id":"https://pubs.acs.org/doi/10.1021/acsami.0c11187","identifier":"https://pubs.acs.org/doi/10.1021/acsami.0c11187","url":"https://pubs.acs.org/doi/10.1021/acsami.0c11187"}],"license":"http://creativecommons.org/licenses/by/4.0","includedInDataCatalog":{"@type":"DataCatalog","name":"Repositorio de datos de investigación de la Universidad de Chile","url":"http://datos.uchile.cl"},"publisher":{"@type":"Organization","name":"Repositorio de datos de investigación de la Universidad de Chile"},"provider":{"@type":"Organization","name":"Repositorio de datos de investigación de la Universidad de Chile"}}