Revealing the Nature of Defects in α-Ag2WO4 by Positron Annihilation Lifetime Spectroscopy: A Joint Experimental and Theoretical Study
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Metadatos
Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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INVESTIGACIONMetadatos
Título
Revealing the Nature of Defects in α-Ag2WO4 by Positron Annihilation Lifetime Spectroscopy: A Joint Experimental and Theoretical StudyAutoría
Fecha de publicación
2021Editor
American Chemical SocietyISSN
1528-7483; 1528-7505Cita bibliográfica
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.0c0141Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://pubs.acs.org/doi/abs/10.1021/acs.cgd.0c01417Versión
info:eu-repo/semantics/submittedVersionPalabras clave / Materias
Resumen
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 ... [+]
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. [-]
Publicado en
Crystal Growth and Design, 2021, vol. 21, no 2Entidad financiadora
Fundação de Amparo à Pesquisa do Estado de São Paulo—FAPESP | Financiadora de Estudos e Projetos—FINEP, Conselho Nacional de Desenvolvimento Cientifico e Tecnológico—CNPq | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior CAPES | Universitat Jaume I | Ministerio de Ciencia, Innovación y Universidades | Agencia Estatal de Investigación | Agencia Nacional de Promoción Científica y Tecnológica—ANPCyT (Argentina) | Comisión de Investigaciones Científicas de la Provincia de Buenos Aires—CICPBA (Argentina) | Secretaría de Ciencia, Arte y Tecnología, UNCPBA (Argentina)
Identificador de la entidad financiadora
http://dx.doi.org/10.13039/501100011033
Código del proyecto o subvención
2013/07296-2 | 2019/01732-1 | 166281/2017-4 | 426634/2018-7 | UJI-B2019-30 | PGC2018094417-B-I00 | PICT 2015-1832
Título del proyecto o subvención
Aproximaciones racionales para el diseño de nuevos materiales mediante la combinación de teoría y experimento
Derechos de acceso
Copyright © American Chemical Society
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info:eu-repo/semantics/openAccess
http://rightsstatements.org/vocab/InC/1.0/
info:eu-repo/semantics/openAccess
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