title: Theoretical and Experimental Insight on Ag2CrO4 Microcrystals: Synthesis, Characterization, and Photoluminescence Properties.
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.
authors: CDMF-UFSCar-Universidade Federal de São Carlos , P.O. Box 676, CEP, 13565-905 São Carlos, São Paulo, Brazil.
authors: Gabriela S
authors: GS
authors: Silva
authors: Lourdes
authors: L
authors: Gracia
authors: CDMF-UFSCar-Universidade Federal de São Carlos , P.O. Box 676, CEP, 13565-905 São Carlos, São Paulo, Brazil.
authors: Maria T
authors: MT
authors: Fabbro
authors: CDMF-UFSCar-Universidade Federal de São Carlos , P.O. Box 676, CEP, 13565-905 São Carlos, São Paulo, Brazil.
authors: Luis P
authors: LP
authors: Serejo Dos Santos
authors: Hector
authors: H
authors: Beltrán-Mir
authors: Eloisa
authors: E
authors: Cordoncillo
authors: CDMF-UFSCar-Universidade Federal de São Carlos , P.O. Box 676, CEP, 13565-905 São Carlos, São Paulo, Brazil.
authors: Elson
authors: E
authors: Longo
authors: Juan
authors: J
authors: Andrés