Photoluminescence emissions of Ca1−xWO4:xEu3+: Bridging between experiment and DFT calculations

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comunitat-uji-handle:10234/9

comunitat-uji-handle2:10234/7013

comunitat-uji-handle3:10234/8638

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Title
Photoluminescence emissions of Ca1−xWO4:xEu3+: Bridging between experiment and DFT calculations
Author (s)
 Gouveia, Amanda;
 Assis, Marcelo deOrcidScopusGoogle Scholar;
 Ribeiro , Lara Kelly;
 Brandão Lima, Aline Estefany;
 de Oliveira Gomes, EduardoOrcid;
 Souza, Daniele;
 Galvão Gobato, Yara;
 Rosa, Ieda;
 Luz Jr, Geraldo;
 Guillamón, EvaOrcidResearcherID;
 Longo, ElsonOrcidResearcherID;
 Andres, Juan;
 San-Miguel, Miguel A.
Date
2022-10-15
Publisher
Elsevier; Chinese Society of Rare Earth
URI
http://hdl.handle.net/10234/196881
DOI
https://doi.org/10.1016/j.jre.2021.08.023
ISSN
1002-0721
Bibliographic citation
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, 2022
Type
info:eu-repo/semantics/article
Version
info:eu-repo/semantics/publishedVersion
Subject
Abstract
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. [-]
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Funder Name
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)
Project code
2013/07296-2 | 2016/23891-6 | 2017/26105-4 | 2019/01732-1 | 166281/2017-4 | 305792/2020-2 | UJI-B2019-30 | PGC2018094417-B-I00
Rights
©2021 The Authors. Published by Elsevier B.V. on behalf of Chinese Society of Rare Earths.
info:eu-repo/semantics/openAccess
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©2021 The Authors. Published by Elsevier B.V. on behalf of Chinese Society of Rare Earths.
Except where otherwise noted, this item's license is described as ©2021 The Authors. Published by Elsevier B.V. on behalf of Chinese Society of Rare Earths.