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dc.contributor.authorSilva, Gabriela S.
dc.contributor.authorGracia Edo, Lourdes
dc.contributor.authorFabbro, Maria T.
dc.contributor.authorSerejo Dos Santos, Luis P.
dc.contributor.authorBeltrán Mir, Héctor
dc.contributor.authorCordoncillo, Eloisa
dc.contributor.authorLongo, Elson
dc.contributor.authorAndrés, Juan
dc.identifier.citationSILVA, Gabriela S., et al. Theoretical and Experimental Insight on Ag2CrO4 Microcrystals: Synthesis, Characterization, and Photoluminescence Properties. Inorganic Chemistry, 2016, vol. 55, no 17, p. 8961-8970.ca_CA
dc.description.abstractAg2CrO4 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.ca_CA
dc.description.sponsorShipThis work was financially supported by Brazilian research financing institutions (CNPq (304531/2013-8; 237944/2012- 0), FAPESP (2013/07296-2; 2013/26671-9), and CAPES (PNPD-1268069)), Spanish research funding institutions (CTQ2012-36253-C03-02 project (Ministerio de Economia y Competitividad)), PrometeoII/2014/022, ACOMP/2014/270 projects (Generalitat Valenciana), and Programa de Cooperación Cientifíca con Iberoamerica (Brasil) of Ministerio de Educación (PHBP14-00020). We also acknowledge Servei Informática, Universitat Jaume I, for the generous allotment of computer time. J.A. acknowledges the Ministerio de Economia y Competitividad, “Salvador Madariaga” program, PRX15/ 00261. L.G. acknowledges Banco Santander (Becas Iberoamérica: Jóvenes profesores e investigadores).ca_CA
dc.format.extent10 p.ca_CA
dc.publisherAmerican Chemical Societyca_CA
dc.relation.isPartOfInorganic Chemistry, 2016, vol. 55, núm. 17ca_CA
dc.rightsCopyright © 2016 American Chemical Societyca_CA
dc.subjectGeneralized gradient approximationca_CA
dc.subjectPhotocatalytic propertiesca_CA
dc.subjectSilver chromateca_CA
dc.subjectCoprecipitation methodca_CA
dc.subjectSonochemical synthesisca_CA
dc.titleTheoretical and Experimental Insight on Ag2CrO4 Microcrystals: Synthesis, Characterization, and Photoluminescence Propertiesca_CA

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