Publication: CO and CO2 adsorption mechanism in Fe(pz)[Pt(CN)4] probed by neutron scattering and density-functional theory calculations
dc.contributor.affiliation | "Institut Laue Langevin, 71 Avenue des Martyrs, Grenoble, CS 20156-38042, France"," University of Grenoble-Alpes, SIMaP, Grenoble, F-38042, France"," IMDEA Nanociencia, Ciudad Universitaria de Cantoblanco, Faraday 9, Madrid, 28049, Spain"," Departamento de Química Inorgánica, Insituto de Ciencia Molecular (ICMol), Universidad de Valencia, Paterna, 46980, Spain"," University of Grenoble-Alpes, SIMaP, Grenoble-INP, CNRS, Grenoble, F-38042, France" | en |
dc.contributor.affiliation | 000000041762408X | |
dc.contributor.author | Fernández-Blanco Á. | |
dc.contributor.author | Piñeiro-López L. | |
dc.contributor.author | Jiménez-Ruiz M. | |
dc.contributor.author | Rols S. | |
dc.contributor.author | Antonio Real J. | |
dc.contributor.author | Sanchez Costa J. | |
dc.contributor.author | Poloni R. | |
dc.contributor.author | Rodríguez-Velamazán J.A. | |
dc.date.accessioned | 2023-06-01T11:15:59Z | |
dc.date.available | 2023-06-01T11:15:59Z | |
dc.date.issued | 2023 | |
dc.format.mimetype | application/pdf | en |
dc.identifier.doi | 10.1039/d3cp00670k | en |
dc.identifier.uri | http://hdl.handle.net/20.500.12614/3333 | |
dc.journal.title | Physical Chemistry Chemical Physics | en |
dc.language.iso | en | es_ES |
dc.page.initial | 11338 | en |
dc.relation.projectIDTEMP | This work benefited from the support of ILL via the PhD contract of A. F. B. and the beamtime allocation under experiment numbers 5-22-795 ( https://doi.ill.fr/10.5291/ILL-DATA.5-22-795 ), 7-05-506 ( https://doi.ill.fr/10.5291/ILL-DATA.7-05-506 ) and 7-05-510 ( https://doi.ill.fr/10.5291/ILL-DATA.7-05-510 ). Calculations were performed using resources granted by GENCI under the TGCC grant number A0130907211. Additionally, the Dahu platform of the CIMENT infrastructure, which is supported by the Rhone-Alpes region (GRANT CPER07 13 CIRA) and the Equip@Meso project, was employed for the calculations. | |
dc.rights | Atribución-NoComercial-SinDerivadas 3.0 España | * |
dc.rights | Atribución-NoComercial-SinDerivadas 3.0 España | * |
dc.rights.accessRights | open access | en |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ | * |
dc.title | CO and CO2 adsorption mechanism in Fe(pz)[Pt(CN)4] probed by neutron scattering and density-functional theory calculations | en |
dc.type | research article | en |
dc.type.hasVersion | VoR | en |
dc.volume.number | 25 | en |
dspace.entity.type | Publication |
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