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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.)

Effects of chemical substitution on the structural and optical properties of alpha-Ag2-2xNixWO4 (0 <= x <= 0.08) solid solutions

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Author(s):
Pereira, Wyllamanney da Silva ; Ferrer, Mateus Meneghetti ; Botelho, Gleice ; Gracia, Lourdes ; Nogueira, Icamira Costa ; Pinatti, Ivo Mateus ; Rosa, Ieda Lucia Viana ; La Porta, Felipe de Almeida ; Andres, Juan ; Longo, Elson
Total Authors: 10
Document type: Journal article
Source: Physical Chemistry Chemical Physics; v. 18, n. 31, p. 21966-21975, AUG 31 2016.
Web of Science Citations: 6
Abstract

In this work, we investigated the effects of chemical substitution on the structural, electronic, and optical properties of alpha-Ag2-2xNixWO4 (0 <= x <= 0.08) solid solutions prepared by a facile microwave-assisted hydrothermal method. The results showed that the increase of Ni concentration in alpha-Ag2WO4 microcrystals as a host matrix caused a morphological transformation and a shift of the electronic and optical properties. Based on first principles calculations and using Wulff's construction, particle shapes and their transformations in alpha-Ag2WO4 and alpha-Ag2-2xNixWO4 can be affected by controlling the ratios of surface energy values between the different facets. In addition, theoretical calculations revealed that Ni substitution in alpha-Ag2WO4 is more favorable in the Ag-2 and Ag-4 positions, in which the local coordination of Ag atoms corresponds to clusters with coordination numbers of seven and four, respectively. This behavior could be related to the degree of medium-range structural disorder in alpha-Ag2-2xNixWO4 crystals. The experimental results were correlated with theoretical simulations to achieve a deeper understanding of the relationship between morphology and properties. These results provide the basis for a rational design for the compositional modulation of structural and optical properties. (AU)

FAPESP's process: 15/11917-8 - Study of photoluminescent properties and photocatalytic of Ag4P2O7, Ag3-2xNixPO4 and Ag3-2xCuxPO4
Grantee:Wyllamanney da Silva Pereira
Support type: Scholarships in Brazil - Doctorate
FAPESP's process: 13/23995-8 - Synthesis of silver tungstate doped with Eu3+ and the study of their optical, photoluminescent and photocatalytic properties
Grantee:Ivo Mateus Pinatti
Support type: Scholarships in Brazil - Doctorate
FAPESP's process: 14/04350-9 - Theoretical studies of BaZrO3 decorated with ZnS
Grantee:Mateus Meneghetti Ferrer
Support type: Scholarships abroad - Research Internship - 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
FAPESP's process: 12/14468-1 - Development and theoretical-experimental interpretation of BaZrO3@ZnS system
Grantee:Mateus Meneghetti Ferrer
Support type: Scholarships in Brazil - Doctorate
FAPESP's process: 08/57872-1 - National Institute for Materials Science in Nanotechnology
Grantee:Elson Longo da Silva
Support type: Research Projects - Thematic Grants