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Revealing the Nature of Defects in α-Ag2WO4 by Positron Annihilation Lifetime Spectroscopy: A Joint Experimental and Theoretical Study
dc.contributor.author | Assis, Marcelo de | |
dc.contributor.author | Ponce, Miguel Adolfo | |
dc.contributor.author | Gouveia, Amanda | |
dc.contributor.author | de Souza, Daniele | |
dc.contributor.author | Costa, João Paulo | |
dc.contributor.author | Teodoro , Vinícius | |
dc.contributor.author | Galvão Gobato, Yara | |
dc.contributor.author | Andres, Juan | |
dc.contributor.author | Macchi, Carlos | |
dc.contributor.author | Somoza, Alberto | |
dc.contributor.author | Longo, Elson | |
dc.date.accessioned | 2021-05-28T11:49:35Z | |
dc.date.available | 2021-05-28T11:49:35Z | |
dc.date.issued | 2021 | |
dc.identifier.citation | Assis, M.; Ponce, M. A.; Fernandes Gouveia, A.; Souza, D.; de Campos da Costa, J. P.; Teodoro, V.; Gobato, Y. G.; Andrés, J.; Macchi, C.; Somoza, A.; Longo, E. Revealing the Nature of Defects in α-Ag2WO4 by Positron Annihilation Lifetime Spectroscopy: A Joint Experimental and Theoretical Study. Cryst. Growth Des. 2021, 21, 2, 1093–1102. DOI: 10.1021/acs.cgd.0c0141 | ca_CA |
dc.identifier.issn | 1528-7483 | |
dc.identifier.issn | 1528-7505 | |
dc.identifier.uri | http://hdl.handle.net/10234/193229 | |
dc.description.abstract | Electron–matter coupling is a fascinating way to tune and modify the properties of materials. In this work, we present a study on the formation and nature of vacancy-like defects in α-Ag2WO4 samples synthesized in a water or ethanol medium and subsequently submitted to electron beam irradiation at different exposure times. To understand the effects on the geometrical and electronic nature of the generated defects, the data obtained by positron annihilation lifetime spectroscopy were interpreted with the aid of first-principles calculations at the density functional theory level. To complement these results, X-ray diffraction, Raman spectroscopy, photoluminescence emissions, and field emission gun scanning electron microscopy techniques were also used. Based on the positron binding energy and the calculated and experimental positron lifetimes, the defect structure of the nonirradiated and irradiated samples was revealed. As a general feature, it was found that the defect structure is more complex for samples synthesized in ethanol than in water. In particular, the results show that all samples contain defects involving Ag vacancies and that the concentration of this type of defect increases with the irradiation time. | ca_CA |
dc.description.sponsorShip | This work was partly funded by the Fundação de Amparo à Pesquisa do Estado de São Paulo—FAPESP (grants nos. 2013/07296-2 and 2019/01732-1), the Financiadora de Estudos e Projetos—FINEP, Conselho Nacional de Desenvolvimento Cientifico e Tecnológico—CNPq (grants nos. 166281/2017-4 and 426634/2018-7), and the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior CAPES. J.A. acknowledges Universitat Jaume I (project UJI-B2019-30) and the Ministerio de Ciencia, Innovacio′n y Universidades (Spain) (project PGC2018094417-B-I00) for financially supporting this research. C.M. and A.S. thank the funding from the Agencia Nacional de Promoción Científica y Tecnológica—ANPCyT (Argentina) (PICT 2015-1832), the Comisión de Investigaciones Científicas de la Provincia de Buenos Aires—CICPBA (Argentina), and the Secretaría de Ciencia, Arte y Tecnología, UNCPBA (Argentina). | |
dc.format.extent | 10 p. | ca_CA |
dc.format.mimetype | application/pdf | ca_CA |
dc.language.iso | eng | ca_CA |
dc.publisher | American Chemical Society | ca_CA |
dc.relation | Aproximaciones racionales para el diseño de nuevos materiales mediante la combinación de teoría y experimento | ca_CA |
dc.relation.isPartOf | Crystal Growth and Design, 2021, vol. 21, no 2 | ca_CA |
dc.rights | Copyright © American Chemical Society | ca_CA |
dc.rights.uri | http://rightsstatements.org/vocab/InC/1.0/ | * |
dc.subject | nuclear radiation | ca_CA |
dc.subject | metal clusters | ca_CA |
dc.subject | defects in solids | ca_CA |
dc.subject | defects | ca_CA |
dc.subject | irradiation | ca_CA |
dc.title | Revealing the Nature of Defects in α-Ag2WO4 by Positron Annihilation Lifetime Spectroscopy: A Joint Experimental and Theoretical Study | ca_CA |
dc.type | info:eu-repo/semantics/article | ca_CA |
dc.identifier.doi | https://doi.org/10.1021/acs.cgd.0c01417 | |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca_CA |
dc.relation.publisherVersion | https://pubs.acs.org/doi/abs/10.1021/acs.cgd.0c01417 | ca_CA |
dc.type.version | info:eu-repo/semantics/submittedVersion | ca_CA |
project.funder.identifier | http://dx.doi.org/10.13039/501100011033 | ca_CA |
project.funder.name | Fundação de Amparo à Pesquisa do Estado de São Paulo—FAPESP | ca_CA |
project.funder.name | Financiadora de Estudos e Projetos—FINEP, Conselho Nacional de Desenvolvimento Cientifico e Tecnológico—CNPq | ca_CA |
project.funder.name | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior CAPES | ca_CA |
project.funder.name | Universitat Jaume I | ca_CA |
project.funder.name | Ministerio de Ciencia, Innovación y Universidades | ca_CA |
project.funder.name | Agencia Estatal de Investigación | ca_CA |
project.funder.name | Agencia Nacional de Promoción Científica y Tecnológica—ANPCyT (Argentina) | ca_CA |
project.funder.name | Comisión de Investigaciones Científicas de la Provincia de Buenos Aires—CICPBA (Argentina) | ca_CA |
project.funder.name | Secretaría de Ciencia, Arte y Tecnología, UNCPBA (Argentina) | ca_CA |
oaire.awardNumber | 2013/07296-2 | ca_CA |
oaire.awardNumber | 2019/01732-1 | ca_CA |
oaire.awardNumber | 166281/2017-4 | ca_CA |
oaire.awardNumber | 426634/2018-7 | ca_CA |
oaire.awardNumber | UJI-B2019-30 | ca_CA |
oaire.awardNumber | PGC2018094417-B-I00 | ca_CA |
oaire.awardNumber | PICT 2015-1832 | ca_CA |
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