Cargando…

Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag(2)WO(4) induced by electron irradiation

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 α-Ag(2)WO(4) crystals, which is driven by an accelerated electron beam from an electron microscope under high vacuum. The growth process and the c...

Descripción completa

Detalles Bibliográficos
Autores principales: Andrés, Juan, Gracia, Lourdes, Gonzalez-Navarrete, Patricio, Longo, Valeria M., Avansi, Waldir, Volanti, Diogo P., Ferrer, Mateus M., Lemos, Pablo S., La Porta, Felipe A., Hernandes, Antonio C., Longo, Elson
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4066248/
https://www.ncbi.nlm.nih.gov/pubmed/24953210
http://dx.doi.org/10.1038/srep05391
_version_ 1782322154060120064
author Andrés, Juan
Gracia, Lourdes
Gonzalez-Navarrete, Patricio
Longo, Valeria M.
Avansi, Waldir
Volanti, Diogo P.
Ferrer, Mateus M.
Lemos, Pablo S.
La Porta, Felipe A.
Hernandes, Antonio C.
Longo, Elson
author_facet Andrés, Juan
Gracia, Lourdes
Gonzalez-Navarrete, Patricio
Longo, Valeria M.
Avansi, Waldir
Volanti, Diogo P.
Ferrer, Mateus M.
Lemos, Pablo S.
La Porta, Felipe A.
Hernandes, Antonio C.
Longo, Elson
author_sort Andrés, Juan
collection PubMed
description 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 α-Ag(2)WO(4) 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 α-Ag(2)WO(4) 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 [AgO(2)] and [AgO(4)] clusters and, to a minor extent, to the [WO(6)] cluster; these clusters collectively represent the constituent building blocks of α-Ag(2)WO(4).
format Online
Article
Text
id pubmed-4066248
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher Nature Publishing Group
record_format MEDLINE/PubMed
spelling pubmed-40662482014-06-23 Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag(2)WO(4) induced by electron irradiation Andrés, Juan Gracia, Lourdes Gonzalez-Navarrete, Patricio Longo, Valeria M. Avansi, Waldir Volanti, Diogo P. Ferrer, Mateus M. Lemos, Pablo S. La Porta, Felipe A. Hernandes, Antonio C. Longo, Elson Sci Rep Article 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 α-Ag(2)WO(4) 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 α-Ag(2)WO(4) 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 [AgO(2)] and [AgO(4)] clusters and, to a minor extent, to the [WO(6)] cluster; these clusters collectively represent the constituent building blocks of α-Ag(2)WO(4). Nature Publishing Group 2014-06-23 /pmc/articles/PMC4066248/ /pubmed/24953210 http://dx.doi.org/10.1038/srep05391 Text en Copyright © 2014, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-nd/4.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/4.0/
spellingShingle Article
Andrés, Juan
Gracia, Lourdes
Gonzalez-Navarrete, Patricio
Longo, Valeria M.
Avansi, Waldir
Volanti, Diogo P.
Ferrer, Mateus M.
Lemos, Pablo S.
La Porta, Felipe A.
Hernandes, Antonio C.
Longo, Elson
Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag(2)WO(4) induced by electron irradiation
title Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag(2)WO(4) induced by electron irradiation
title_full Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag(2)WO(4) induced by electron irradiation
title_fullStr Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag(2)WO(4) induced by electron irradiation
title_full_unstemmed Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag(2)WO(4) induced by electron irradiation
title_short Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag(2)WO(4) induced by electron irradiation
title_sort structural and electronic analysis of the atomic scale nucleation of ag on α-ag(2)wo(4) induced by electron irradiation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4066248/
https://www.ncbi.nlm.nih.gov/pubmed/24953210
http://dx.doi.org/10.1038/srep05391
work_keys_str_mv AT andresjuan structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT gracialourdes structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT gonzaleznavarretepatricio structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT longovaleriam structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT avansiwaldir structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT volantidiogop structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT ferrermateusm structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT lemospablos structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT laportafelipea structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT hernandesantonioc structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation
AT longoelson structuralandelectronicanalysisoftheatomicscalenucleationofagonaag2wo4inducedbyelectronirradiation