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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.)

Theoretical and Experimental Insight on Ag2CrO4 Microcrystals: Synthesis, Characterization, and Photoluminescence Properties

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Silva, Gabriela S. ; Gracia, Lourdes ; Fabbro, Maria T. ; Serejo dos Santos, Luis P. ; Beltran-Mir, Hector ; Cordoncillo, Eloisa ; Longo, Elson ; Andres, Juan
Total Authors: 8
Document type: Journal article
Source: Inorganic Chemistry; v. 55, n. 17, p. 8961-8970, SEP 5 2016.
Web of Science Citations: 8

Ag2CrO4 microcrystals were synthesized by means of the coprecipitation method without the use of a surfactant under three different conditions. On the basis of the theoretical and experimental results, we describe the relationship among the structural order/disorder effects, morphology, and photoluminescence of the Ag2CrO4 microcrystals. The experimental results were correlated with the theoretical findings for a deeper understanding of the relationship between the electronic structure, morphology, and photoluminescence properties. First principles computational studies were used to calculate the geometries of bulk Ag2CrO4 and its low-index (001), (011), (110), (010), (111), and (100) facets based on a slab model. A good agreement between the experimental and the theoretical morphologies was found by varying the ratio of the superficial energy values. (AU)

FAPESP's process: 13/26671-9 - Theoretical and experimental study of multifunctional semiconductors
Grantee:Amanda Fernandes Gouveia
Support type: Scholarships in Brazil - Doctorate
FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:Elson Longo da Silva
Support type: Research Grants - Research, Innovation and Dissemination Centers - RIDC