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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Understanding the White-Emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ Phosphor through Experiment and Connputation

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Tranquilin, R. L. [1] ; Lovisa, L. X. [1] ; Almeida, C. R. R. [1] ; Paskocimas, C. A. [1] ; Li, M. S. [2] ; Oliveira, M. C. [3, 1] ; Gracia, L. [3, 4] ; Andres, J. [3] ; Longo, E. [5] ; Motta, F. V. [1] ; Bomio, M. R. D. [1]
Total Authors: 11
[1] Univ Fed Rio Grande do Norte, Dept Mat Engn, LSQM Lab Chem Synth Mat, POB 1524, BR-59078900 Natal, RN - Brazil
[2] Univ Sao Paulo, IFSC, Av Trabalhador Sao Carlense 400, BR-13566590 Sao Carlos, SP - Brazil
[3] Univ Jaume 1, Dept Quim Fis & Analit, Castellon de La Plana 12071 - Spain
[4] Univ Valencia, Dept Phys Chem, E-46100 Burjassot - Spain
[5] Univ Fed Sao Carlos, LIEC, CDMF, POB 676, BR-13565905 Sao Carlos, SP - Brazil
Total Affiliations: 5
Document type: Journal article
Source: Journal of Physical Chemistry C; v. 123, n. 30, p. 18536-18550, AUG 1 2019.
Web of Science Citations: 2

In this article, the synthesis by means of the spray pyrolysis method, of the CaMoO, and rare-earth cation (RE3+)-doped CaMoO4:xRE(3+) (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. (AU)

FAPESP's process: 16/23891-6 - Computer modeling of condensed matter
Grantee:Alex Antonelli
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:Elson Longo da Silva
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC