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

Author(s)

Silva, Gabriela S. ; Gracia, Lourdes ; Fabbro, Maria T. ; Serejo dos Santos, Luis P. ; Beltran-Mir, Hector ; Cordoncillo, Eloisa ; Longo, Elson ; Andres, Juan

• Document type: Journal article
• Source: Inorganic Chemistry; v. 55, n. 17, p. 8961-8970, SEP 5 2016.
• Web of Science Citations: 10

Abstract

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