Structural and electronic analysis of the atomic scale nucleation of Ag on alpha-Ag2WO4 induced by electron irradiation

Autor(es):Mostrar menos -

Andres, Juan ^[1] ; Gracia, Lourdes ^{[2, 1]} ; Gonzalez-Navarrete, Patricio ^{[2, 1]} ; Longo, Valeria M. ^[3] ; Avansi, Jr., Waldir ^[4] ; Volanti, Diogo P. ^[5] ; Ferrer, Mateus M. ^[4] ; Lemos, Pablo S. ^[4] ; La Porta, Felipe A. ^[2] ; Hernandes, Antonio C. ^[3] ; Longo, Elson ^[2]

Afiliação do(s) autor(es)

^[1] UJI Univ Jaume I, Dept Quim Fis & Analit, Castellon de La Plana - Spain

^[2] Univ Estadual Paulista, Inst Quim, BR-14800900 Araraquara, SP - Brazil

^[3] Univ Sao Paulo, Inst Fis Sao Carlos, BR-13560970 Sao Carlos, SP - Brazil

^[4] Univ Fed Sao Carlos, UFSCar, Dept Fis, BR-13565905 Sao Carlos, SP - Brazil

^[5] Univ Estadual Paulista, Dept Quim & Ciencias Ambientais, BR-15054000 Sao Jose Do Rio Preto - Brazil

• Tipo de documento: Artigo Científico
• Fonte: SCIENTIFIC REPORTS; v. 4, JUN 23 2014.
• Citações Web of Science: 68

Resumo

In this work, we utilise a combination of theory, computation and experiments to understand the early events related to the nucleation of Ag filaments on alpha-Ag2WO4 crystals, which is driven by an accelerated electron beam from an electron microscope under high vacuum. The growth process and the chemical composition and elemental distribution in these filaments were analysed in depth at the nanoscale level using TEM, HAADF, EDS and XPS; the structural and electronic aspects were systematically studied in using first-principles electronic structure theory within QTAIM framework. The Ag nucleation and formation on alpha-Ag2WO4 is a result of the order/disorder effects generated in the crystal by the electron-beam irradiation. Both experimental and theoretical results show that this behavior is associated with structural and electronic changes of the {[}AgO2] and {[}AgO4] clusters and, to a minor extent, to the {[}WO6] cluster; these clusters collectively represent the constituent building blocks of alpha-Ag2WO4. (AU)

• Processo FAPESP: 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais
• Beneficiário: Elson Longo da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs