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http://hdl.handle.net/10261/311689
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dc.contributor.author | Buceta, David | es_ES |
dc.contributor.author | Huseyinova, Shahana | es_ES |
dc.contributor.author | Cuerva, Miguel | es_ES |
dc.contributor.author | Lozano, Héctor | es_ES |
dc.contributor.author | Giovanetti, Lisandro J. | es_ES |
dc.contributor.author | Ramallo-López, José M. | es_ES |
dc.contributor.author | López-Caballero, Patricia | es_ES |
dc.contributor.author | Zanchet, Alexandre | es_ES |
dc.contributor.author | Mitrushchenkov, Alexander O. | es_ES |
dc.contributor.author | Hauser, Andreas W. | es_ES |
dc.contributor.author | Barone, Giampaolo | es_ES |
dc.contributor.author | Huck-Iriart, Cristián | es_ES |
dc.contributor.author | Escudero, Carlos | es_ES |
dc.contributor.author | Hernández-Garrido, Juan Carlos | es_ES |
dc.contributor.author | Calvino, José Juan | es_ES |
dc.contributor.author | López-Haro, Miguel | es_ES |
dc.contributor.author | Lara Castells, María Pilar de | es_ES |
dc.contributor.author | Requejo, Felix Gregorio | es_ES |
dc.contributor.author | López-Quintela, M. Arturo | es_ES |
dc.date.accessioned | 2023-06-16T08:52:22Z | - |
dc.date.available | 2023-06-16T08:52:22Z | - |
dc.date.issued | 2023-05-19 | - |
dc.identifier.citation | Chemistry – A European Journal e202301517 (2023) | es_ES |
dc.identifier.uri | http://hdl.handle.net/10261/311689 | - |
dc.description | 12 pags., 6 figs. -- Cover Feature: http://hdl.handle.net/10261/348394 | es_ES |
dc.description.abstract | Sub-nanometer Metal clusters have special physical and chemical properties, significantly different from those of nanoparticles. However, there is a major concern about their thermal stability and susceptibility to oxidation. In situ X-ray Absorption spectroscopy and Near Ambient Pressure X-ray Photoelectron spectroscopy results reveal that supported Cu5 clusters are resistant to irreversible oxidation at least up to 773 K, even in the presence of 0.15 mbar of oxygen. These experimental findings can be formally described by a theoretical model which combines dispersion-corrected DFT and first principles thermochemistry revealing that most of the adsorbed O2 molecules are transformed into superoxo and peroxo species by an interplay of collective charge transfer within the network of Cu atoms and large amplitude "breathing" motions. A chemical phase diagram for Cu oxidation state of the Cu5-oxygen system is presented, clearly different from the already known bulk and nano-structured chemistry of Cu. | es_ES |
dc.description.sponsorship | This work has been partly supported by the Spanish Ministerio de Ciencia e Innovación (TED2021-131899BI00/MCIN/AEI/10.13039/501100011033/ Unión Europea NextGenerationEU/PRTR), and the Agencia Estatal de Investigación (AEI) and the Fondo Europeo de Desarrollo Regional (FEDER, UE) under Grants Nos, PID2019-107115GBC21, and PID2020-117605GB-I00; the EU Doctoral Network PHYMOL 101073474 (project call reference HORIZON-MSCA2021-DN-01); the Austrian Science Fund (FWF) under Grant P29893-N36; XUNTA DE GALICIA (Spain) (Grupos Ref. Comp. 2021 - ED431C 2021/16); ANPCyT PICT (2017-1220 and 2017- 3944) and UNLP (Project 11/X937), Argentina. This publication is also based upon work of COST Action CA21101 "Confined molecular systems: from a new generation of materials to the stars" (COSY) supported by COST (European Cooperation in Science and Technology). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Wiley-VCH | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN//TED2021-131899BI00 | es_ES |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-107115GB-C21/ES/MOLECULAS COMO PRECURSORES DE LOS GRANOS DE POLVO EN ESTRELLAS EVOLUCIONADAS. DESDE LAS ENVOLTURAS CIRCUNESTELARES AL MEDIO INTERESTELAR/ | es_ES |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-117605GB-I00/ES/SISTEMAS MOLECULARES CONFINADOS: LA NUEVA GENERACION DE MATERIALES/ | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/HE/101073474 | es_ES |
dc.relation.ispartof | Chemistry (Weinheim an der Bergstrasse, Germany) | es_ES |
dc.relation.isversionof | Postprint | es_ES |
dc.rights | openAccess | es_ES |
dc.subject | Nanotechnology | es_ES |
dc.subject | Oxidation | es_ES |
dc.subject | Photoelectron spectroscopy | es_ES |
dc.subject | X-ray absorption spectroscopy | es_ES |
dc.subject | Density functional calculations | es_ES |
dc.title | Stability and Reversible Oxidation of Sub-Nanometric Cu5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling | es_ES |
dc.type | artículo | es_ES |
dc.identifier.doi | 10.1002/chem.202301517 | - |
dc.description.peerreviewed | Peer reviewed | es_ES |
dc.relation.publisherversion | https://doi.org/10.1002/chem.202301517 | es_ES |
dc.rights.license | https://creativecommons.org/licenses | es_ES |
dc.contributor.funder | Ministerio de Ciencia e Innovación (España) | es_ES |
dc.contributor.funder | Agencia Estatal de Investigación (España) | es_ES |
dc.contributor.funder | European Commission | es_ES |
dc.contributor.funder | Austrian Science Fund | es_ES |
dc.relation.csic | Sí | es_ES |
oprm.item.hasRevision | no ko 0 false | * |
dc.identifier.funder | http://dx.doi.org/10.13039/501100004837 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100002428 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100000780 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100011033 | es_ES |
dc.identifier.pmid | 37204268 | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.languageiso639-1 | en | - |
item.fulltext | With Fulltext | - |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
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Oxidation of Sub-Nanometric.pdf | Manuscrito aceptado | 2,04 MB | Adobe PDF | Visualizar/Abrir |
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