Revealing the Nature of Defects in α-Ag2WO4 by Positron Annihilation Lifetime Spectroscopy: A Joint Experimental and Theoretical Study
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Metadades
Mostra el registre complet de l'elementcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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INVESTIGACIONMetadades
Títol
Revealing the Nature of Defects in α-Ag2WO4 by Positron Annihilation Lifetime Spectroscopy: A Joint Experimental and Theoretical StudyAutoria
Data de publicació
2021Editor
American Chemical SocietyISSN
1528-7483; 1528-7505Cita bibliogràfica
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.0c0141Tipus de document
info:eu-repo/semantics/articleVersió de l'editorial
https://pubs.acs.org/doi/abs/10.1021/acs.cgd.0c01417Versió
info:eu-repo/semantics/submittedVersionParaules clau / Matèries
Resum
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. [-]
Publicat a
Crystal Growth and Design, 2021, vol. 21, no 2Entitat finançadora
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 l'entitat finançadora
http://dx.doi.org/10.13039/501100011033
Codi del projecte o subvenció
2013/07296-2 | 2019/01732-1 | 166281/2017-4 | 426634/2018-7 | UJI-B2019-30 | PGC2018094417-B-I00 | PICT 2015-1832
Títol del projecte o subvenció
Aproximaciones racionales para el diseño de nuevos materiales mediante la combinación de teoría y experimento
Drets d'accés
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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