Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation

In this article, the synthesis by means of the spray pyrolysis method, of the CaMoO4 and rare-earth cation (RE3+)-doped CaMoO4:xRE3+ (RE3+ = Eu3+, Tb3+, and Tm3+; and x = 1, 2, and 4% mol) compounds, is presented. The as-synthesized samples were characterized using X-ray diffraction, Rietveld refine...

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Principais autores: Paskocimas, Carlos Alberto, Tranquilin, Ricardo Luis, Lovisa, Laura Ximena, Almeida, Cláudio Romero Rodrigues de, Li, Maximo Siu, Oliveira, Marisa Carvalho de, Gracia, Lourdes, Andres, Juan, Silva, Elson Longo da, Motta, Fabiana Villela da, Delmonte, Maurício Roberto Bomio
Formato: article
Idioma:English
Publicado em: American Chemical Society
Assuntos:
White-Emitting CaMoO4
Co-Doped Eu3+
Tb3+
Tm3+
Phosphor
Endereço do item:https://repositorio.ufrn.br/handle/123456789/32156
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spelling ri-123456789-321562021-12-16T12:52:38Z Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation Paskocimas, Carlos Alberto Tranquilin, Ricardo Luis Lovisa, Laura Ximena Almeida, Cláudio Romero Rodrigues de Li, Maximo Siu Oliveira, Marisa Carvalho de Gracia, Lourdes Andres, Juan Silva, Elson Longo da Motta, Fabiana Villela da Delmonte, Maurício Roberto Bomio White-Emitting CaMoO4 Co-Doped Eu3+ Tb3+ Tm3+ Phosphor In this article, the synthesis by means of the spray pyrolysis method, of the CaMoO4 and rare-earth cation (RE3+)-doped CaMoO4:xRE3+ (RE3+ = Eu3+, Tb3+, and Tm3+; and x = 1, 2, and 4% mol) compounds, is presented. The as-synthesized samples were characterized using X-ray diffraction, Rietveld refinement, field emission scanning electron microscopy (FE-SEM), Raman spectroscopy, and photoluminescence (PL) spectroscopy. To complement and rationalize the experimental results, first-principles calculations, at the density functional theory level, have been performed to analyze the band structure and density of states. In addition, a theoretical method based on the calculations of surface energies and Wulff construction was applied to obtain the morphology transformation of the CaMoO4 and CaMoO4:RE3+ microstructures. The experimental morphologies can be observed in the FE-SEM images. The PL behavior of the Co-doped samples exhibited well-defined bands in the visible region. The samples with 2 and 4% of RE3+ released white emission according to the chromaticity coordinates (0.34, 0.34) and (0.34, 0.33), respectively. The present results provide not only a deep understanding of the structure−property relationships of CaMoO4-based phosphor but also can be employed as a guideline for the design of the electronic structure of the materials and the fabrication of photofunctional materials with optimal properties, which allows for the modeling of new phosphors for applications in solid-state lighting 2021-04-12T17:09:12Z 2021-04-12T17:09:12Z 2019-07-09 article TRANQUILIN, R. L.; LOVISA, L. X.; ALMEIDA, C. R. R.; PASKOCIMAS, C. A.; LI, M. S.; OLIVEIRA, M. C.; GRACIA, L.; ANDRES, J.; LONGO, E.; MOTTA, F. V.. Understanding the White-Emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ Phosphor through Experiment and Computation. The Journal of Physical Chemistry C, [S.L.], v. 123, n. 30, p. 18536-18550, 9 jul. 2019. Disponível em: https://pubs.acs.org/doi/10.1021/acs.jpcc.9b04123. Acesso em: 04 dez. 2020 http://dx.doi.org/10.1021/acs.jpcc.9b04123. 1932-7455 1932-7447 https://repositorio.ufrn.br/handle/123456789/32156 10.1021/acs.jpcc.9b04123 en Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ application/pdf American Chemical Society
institution Repositório Institucional
collection RI - UFRN
language English
topic White-Emitting CaMoO4
Co-Doped Eu3+
Tb3+
Tm3+
Phosphor
spellingShingle White-Emitting CaMoO4
Co-Doped Eu3+
Tb3+
Tm3+
Phosphor
Paskocimas, Carlos Alberto
Tranquilin, Ricardo Luis
Lovisa, Laura Ximena
Almeida, Cláudio Romero Rodrigues de
Li, Maximo Siu
Oliveira, Marisa Carvalho de
Gracia, Lourdes
Andres, Juan
Silva, Elson Longo da
Motta, Fabiana Villela da
Delmonte, Maurício Roberto Bomio
Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation
description In this article, the synthesis by means of the spray pyrolysis method, of the CaMoO4 and rare-earth cation (RE3+)-doped CaMoO4:xRE3+ (RE3+ = Eu3+, Tb3+, and Tm3+; and x = 1, 2, and 4% mol) compounds, is presented. The as-synthesized samples were characterized using X-ray diffraction, Rietveld refinement, field emission scanning electron microscopy (FE-SEM), Raman spectroscopy, and photoluminescence (PL) spectroscopy. To complement and rationalize the experimental results, first-principles calculations, at the density functional theory level, have been performed to analyze the band structure and density of states. In addition, a theoretical method based on the calculations of surface energies and Wulff construction was applied to obtain the morphology transformation of the CaMoO4 and CaMoO4:RE3+ microstructures. The experimental morphologies can be observed in the FE-SEM images. The PL behavior of the Co-doped samples exhibited well-defined bands in the visible region. The samples with 2 and 4% of RE3+ released white emission according to the chromaticity coordinates (0.34, 0.34) and (0.34, 0.33), respectively. The present results provide not only a deep understanding of the structure−property relationships of CaMoO4-based phosphor but also can be employed as a guideline for the design of the electronic structure of the materials and the fabrication of photofunctional materials with optimal properties, which allows for the modeling of new phosphors for applications in solid-state lighting
format article
author Paskocimas, Carlos Alberto
Tranquilin, Ricardo Luis
Lovisa, Laura Ximena
Almeida, Cláudio Romero Rodrigues de
Li, Maximo Siu
Oliveira, Marisa Carvalho de
Gracia, Lourdes
Andres, Juan
Silva, Elson Longo da
Motta, Fabiana Villela da
Delmonte, Maurício Roberto Bomio
author_facet Paskocimas, Carlos Alberto
Tranquilin, Ricardo Luis
Lovisa, Laura Ximena
Almeida, Cláudio Romero Rodrigues de
Li, Maximo Siu
Oliveira, Marisa Carvalho de
Gracia, Lourdes
Andres, Juan
Silva, Elson Longo da
Motta, Fabiana Villela da
Delmonte, Maurício Roberto Bomio
author_sort Paskocimas, Carlos Alberto
title Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation
title_short Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation
title_full Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation
title_fullStr Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation
title_full_unstemmed Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation
title_sort understanding the white-emitting camoo4 co-doped eu3+, tb3+, and tm3+ phosphor through experiment and computation
publisher American Chemical Society
publishDate 2021
url https://repositorio.ufrn.br/handle/123456789/32156
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