Photoluminescence emissions of Ca1−xWO4:xEu3+: Bridging between experiment and DFT calculations
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Otros documentos de la autoría: Gouveia, Amanda; Assis, Marcelo de; Ribeiro , Lara Kelly; Brandão Lima, Aline Estefany; de Oliveira Gomes, Eduardo; Souza, Daniele; Galvão Gobato, Yara; Rosa, Ieda; Luz Jr, Geraldo; Guillamón, Eva; Longo, Elson; Andres, Juan; San-Miguel, Miguel A.
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Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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Título
Photoluminescence emissions of Ca1−xWO4:xEu3+: Bridging between experiment and DFT calculationsAutoría
Fecha de publicación
2022-10-15Editor
Elsevier; Chinese Society of Rare EarthISSN
1002-0721Cita bibliográfica
Gouveia, A. F., Assis, M., Ribeiro, L. K., Lima, A. E. B., de Oliveira Gomes, E., Souza, D., ... & San-Miguel, M. A. (2021). Photoluminescence emissions of Ca1− xWO4: xEu3+: Bridging between experiment and DFT calculations. Journal of Rare Earths. Volume 40, Issue 10, 2022Tipo de documento
info:eu-repo/semantics/articleVersión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
In this work, the impact of the doping process on the photoluminescence emission of CaWO4 as a function of the concentration of Eu3+ cation (0.01 mol%, 0.02 mol%, 0.04 mol%, 0.06 mol%, 0.08 mol%, and 0.10 mol%) is ... [+]
In this work, the impact of the doping process on the photoluminescence emission of CaWO4 as a function of the concentration of Eu3+ cation (0.01 mol%, 0.02 mol%, 0.04 mol%, 0.06 mol%, 0.08 mol%, and 0.10 mol%) is discussed in detail. Ca1−xWO4:xEu3+ samples were successfully synthesized by a simple co-precipitation method followed by microwave irradiation. The blue shift in the absorption edge confirmed the quantum confinement effect and the band gap energy cover the range from 3.91 to 4.18 eV, as the amount of Eu3+ cations increases. The experimental results are sustained by first-principles calculations, at the density functional theory level, to decipher the geometry and electronic properties, thereby enabling a more accurate and direct comparison between theory and experiment for the Ca1−xWO4:xEu3+ structure. [-]
Datos relacionados
https://ars.els-cdn.com/content/image/1-s2.0-S1002072121002404-mmc1.docxEntidad financiadora
Fundação de Amparo à Pesquisa do Estado de São Paulo - FAPESP | inanciadora de Estudos e Projetos - FINEP | Conselho Nacional de Desenvolvimento Científico e Tecnológico – CNPQ | Universitat Jaume I | Ministerio de Ciencia, Innovación y Universidades (Spain)
Código del proyecto o subvención
2013/07296-2 | 2016/23891-6 | 2017/26105-4 | 2019/01732-1 | 166281/2017-4 | 305792/2020-2 | UJI-B2019-30 | PGC2018094417-B-I00
Derechos de acceso
©2021 The Authors. Published by Elsevier B.V. on behalf of Chinese Society of Rare Earths.
info:eu-repo/semantics/openAccess
info:eu-repo/semantics/openAccess
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