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

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

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dc.contributor.author	Paskocimas, Carlos Alberto
dc.contributor.author	Tranquilin, Ricardo Luis
dc.contributor.author	Lovisa, Laura Ximena
dc.contributor.author	Almeida, Cláudio Romero Rodrigues de
dc.contributor.author	Li, Maximo Siu
dc.contributor.author	Oliveira, Marisa Carvalho de
dc.contributor.author	Gracia, Lourdes
dc.contributor.author	Andres, Juan
dc.contributor.author	Silva, Elson Longo da
dc.contributor.author	Motta, Fabiana Villela da
dc.contributor.author	Delmonte, Maurício Roberto Bomio
dc.date.accessioned	2021-04-12T17:09:12Z
dc.date.available	2021-04-12T17:09:12Z
dc.date.issued	2019-07-09
dc.description.resumo	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	pt_BR
dc.identifier.citation	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.	pt_BR
dc.identifier.doi	10.1021/acs.jpcc.9b04123
dc.identifier.issn	1932-7455
dc.identifier.issn	1932-7447
dc.identifier.uri	https://repositorio.ufrn.br/handle/123456789/32156
dc.language	en	pt_BR
dc.publisher	American Chemical Society	pt_BR
dc.rights	Attribution 3.0 Brazil	*
dc.rights.uri	http://creativecommons.org/licenses/by/3.0/br/	*
dc.subject	White-Emitting CaMoO4	pt_BR
dc.subject	Co-Doped Eu3+	pt_BR
dc.subject	Tb3+	pt_BR
dc.subject	Tm3+	pt_BR
dc.subject	Phosphor	pt_BR
dc.title	Understanding the white-emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation	pt_BR
dc.type	article	pt_BR