In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles

Detalhes bibliográficos
Autor(a) principal: San-Miguel, Miguel A
Data de Publicação: 2016
Outros Autores: Da Silva, Edison Z, Zanetti, Sonia M [UNESP], Cilense, Mario [UNESP], Fabbro, Maria T, Gracia, Lourdes, Andrés, Juan, Longo, Elson [UNESP]
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1088/0957-4484/27/22/225703
http://hdl.handle.net/11449/177995
Resumo: Exploiting the plasmonic behavior of Ag nanoparticles grown on α-Ag2WO4 is a widely employed strategy to produce efficient photocatalysts, ozone sensors, and bactericides. However, a description of the atomic and electronic structure of the semiconductor sites irradiated by electrons is still not available. Such a description is of great importance to understand the mechanisms underlying these physical processes and to improve the design of silver nanoparticles to enhance their activities. Motivated by this, we studied the growth of silver nanoparticles to investigate this novel class of phenomena using both transmission electron microscopy and field emission scanning electron microscopy. A theoretical framework based on density functional theory calculations (DFT), together with experimental analysis and measurements, were developed to examine the changes in the local geometrical and electronic structure of the materials. The physical principles for the formation of Ag nanoparticles on α-Ag2WO4 by electron beam irradiation are described. Quantum mechanical calculations based on DFT show that the (001) of α-Ag2WO4 displays Ag atoms with different coordination numbers. Some of them are able to diffuse out of the surface with a very low energy barrier (less than 0.1 eV), thus, initiating the growth of metallic Ag nanostructures and leaving Ag vacancies in the bulk material. These processes increase the structural disorder of α-Ag2WO4 as well as its electrical resistance as observed in the experimental measurements.
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spelling In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principlesAg nanoparticlesdensity functional theoryplasmonic effecttransmission electron microscopyα-Ag2WO4Exploiting the plasmonic behavior of Ag nanoparticles grown on α-Ag2WO4 is a widely employed strategy to produce efficient photocatalysts, ozone sensors, and bactericides. However, a description of the atomic and electronic structure of the semiconductor sites irradiated by electrons is still not available. Such a description is of great importance to understand the mechanisms underlying these physical processes and to improve the design of silver nanoparticles to enhance their activities. Motivated by this, we studied the growth of silver nanoparticles to investigate this novel class of phenomena using both transmission electron microscopy and field emission scanning electron microscopy. A theoretical framework based on density functional theory calculations (DFT), together with experimental analysis and measurements, were developed to examine the changes in the local geometrical and electronic structure of the materials. The physical principles for the formation of Ag nanoparticles on α-Ag2WO4 by electron beam irradiation are described. Quantum mechanical calculations based on DFT show that the (001) of α-Ag2WO4 displays Ag atoms with different coordination numbers. Some of them are able to diffuse out of the surface with a very low energy barrier (less than 0.1 eV), thus, initiating the growth of metallic Ag nanostructures and leaving Ag vacancies in the bulk material. These processes increase the structural disorder of α-Ag2WO4 as well as its electrical resistance as observed in the experimental measurements.Institute of Chemistry State University of Campinas - UnicampInstitute of Physics 'Gleb Wataghin' State University of Campinas - UnicampInstitute of Chemistry UNESP (Universidade Estadual Paulista)Chemistry Department Federal University of Sao Carlos - UFSCarDepartament de Quĩmica Fĩsica i Analĩtica Universitat Jaume iCDMF-UNESP Universidade Estadual Paulista, PO Box 355Institute of Chemistry UNESP (Universidade Estadual Paulista)CDMF-UNESP Universidade Estadual Paulista, PO Box 355Universidade Estadual de Campinas (UNICAMP)Universidade Estadual Paulista (Unesp)Universidade Federal de São Carlos (UFSCar)Universitat Jaume iSan-Miguel, Miguel ADa Silva, Edison ZZanetti, Sonia M [UNESP]Cilense, Mario [UNESP]Fabbro, Maria TGracia, LourdesAndrés, JuanLongo, Elson [UNESP]2018-12-11T17:28:05Z2018-12-11T17:28:05Z2016-04-26info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://dx.doi.org/10.1088/0957-4484/27/22/225703Nanotechnology, v. 27, n. 22, 2016.1361-65280957-4484http://hdl.handle.net/11449/17799510.1088/0957-4484/27/22/2257032-s2.0-849650070052-s2.0-84965007005.pdfScopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengNanotechnology1,0791,079info:eu-repo/semantics/openAccess2024-01-02T06:15:51Zoai:repositorio.unesp.br:11449/177995Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T21:53:52.164173Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles
title In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles
spellingShingle In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles
San-Miguel, Miguel A
Ag nanoparticles
density functional theory
plasmonic effect
transmission electron microscopy
α-Ag2WO4
title_short In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles
title_full In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles
title_fullStr In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles
title_full_unstemmed In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles
title_sort In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: Probing the physical principles
author San-Miguel, Miguel A
author_facet San-Miguel, Miguel A
Da Silva, Edison Z
Zanetti, Sonia M [UNESP]
Cilense, Mario [UNESP]
Fabbro, Maria T
Gracia, Lourdes
Andrés, Juan
Longo, Elson [UNESP]
author_role author
author2 Da Silva, Edison Z
Zanetti, Sonia M [UNESP]
Cilense, Mario [UNESP]
Fabbro, Maria T
Gracia, Lourdes
Andrés, Juan
Longo, Elson [UNESP]
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade Estadual de Campinas (UNICAMP)
Universidade Estadual Paulista (Unesp)
Universidade Federal de São Carlos (UFSCar)
Universitat Jaume i
dc.contributor.author.fl_str_mv San-Miguel, Miguel A
Da Silva, Edison Z
Zanetti, Sonia M [UNESP]
Cilense, Mario [UNESP]
Fabbro, Maria T
Gracia, Lourdes
Andrés, Juan
Longo, Elson [UNESP]
dc.subject.por.fl_str_mv Ag nanoparticles
density functional theory
plasmonic effect
transmission electron microscopy
α-Ag2WO4
topic Ag nanoparticles
density functional theory
plasmonic effect
transmission electron microscopy
α-Ag2WO4
description Exploiting the plasmonic behavior of Ag nanoparticles grown on α-Ag2WO4 is a widely employed strategy to produce efficient photocatalysts, ozone sensors, and bactericides. However, a description of the atomic and electronic structure of the semiconductor sites irradiated by electrons is still not available. Such a description is of great importance to understand the mechanisms underlying these physical processes and to improve the design of silver nanoparticles to enhance their activities. Motivated by this, we studied the growth of silver nanoparticles to investigate this novel class of phenomena using both transmission electron microscopy and field emission scanning electron microscopy. A theoretical framework based on density functional theory calculations (DFT), together with experimental analysis and measurements, were developed to examine the changes in the local geometrical and electronic structure of the materials. The physical principles for the formation of Ag nanoparticles on α-Ag2WO4 by electron beam irradiation are described. Quantum mechanical calculations based on DFT show that the (001) of α-Ag2WO4 displays Ag atoms with different coordination numbers. Some of them are able to diffuse out of the surface with a very low energy barrier (less than 0.1 eV), thus, initiating the growth of metallic Ag nanostructures and leaving Ag vacancies in the bulk material. These processes increase the structural disorder of α-Ag2WO4 as well as its electrical resistance as observed in the experimental measurements.
publishDate 2016
dc.date.none.fl_str_mv 2016-04-26
2018-12-11T17:28:05Z
2018-12-11T17:28:05Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1088/0957-4484/27/22/225703
Nanotechnology, v. 27, n. 22, 2016.
1361-6528
0957-4484
http://hdl.handle.net/11449/177995
10.1088/0957-4484/27/22/225703
2-s2.0-84965007005
2-s2.0-84965007005.pdf
url http://dx.doi.org/10.1088/0957-4484/27/22/225703
http://hdl.handle.net/11449/177995
identifier_str_mv Nanotechnology, v. 27, n. 22, 2016.
1361-6528
0957-4484
10.1088/0957-4484/27/22/225703
2-s2.0-84965007005
2-s2.0-84965007005.pdf
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Nanotechnology
1,079
1,079
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
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