Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation

Detalhes bibliográficos
Autor(a) principal: Alves, J. L. A.
Data de Publicação: 1996
Outros Autores: Alves, H. W. Leite, Castilho, Caio Mário Castro de
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/8456
Resumo: Texto completo: acesso restrito. p.139–141
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spelling Alves, J. L. A.Alves, H. W. LeiteCastilho, Caio Mário Castro deAlves, J. L. A.Alves, H. W. LeiteCastilho, Caio Mário Castro de2013-02-16T03:27:34Z19960921-5107http://www.repositorio.ufba.br/ri/handle/ri/8456v. 37, n. 1-3Texto completo: acesso restrito. p.139–141The adsorption of atoms on Ag(110) surfaces has been widely investigated both theoretically and experimentally. The importance of the (110) face results from the much better catalytic properties of the single crystal Ag(110) compared with polycrystalline samples. The aim of this work is to study the systems Ag(110): H, O, Cl by means of rigorous ab initio quantum-chemical calculations. We have investigated several possible binding sites, geometries, elastic constants, binding energies and charge distributions for H, O and Cl on Ag(110) surfaces simulated by clusters Agn (n = 3,10).Submitted by Suelen Reis (suelen_suzane@hotmail.com) on 2013-02-15T16:40:22Z No. of bitstreams: 1 Alves.pdf: 173961 bytes, checksum: 9ef924e76ef135c74a314a54b523436f (MD5)Approved for entry into archive by Maria Alice Ribeiro(malice@ufba.br) on 2013-02-16T03:27:34Z (GMT) No. of bitstreams: 1 Alves.pdf: 173961 bytes, checksum: 9ef924e76ef135c74a314a54b523436f (MD5)Made available in DSpace on 2013-02-16T03:27:34Z (GMT). No. of bitstreams: 1 Alves.pdf: 173961 bytes, checksum: 9ef924e76ef135c74a314a54b523436f (MD5) Previous issue date: 1996http://dx.doi.org.ez10.periodicos.capes.gov.br/10.1016/0921-5107(95)01472-1reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAHydrogenOxygenChlorineAdsorptionSilverHydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculationMaterials Science and Engineering: Binfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10000-01-01enginfo:eu-repo/semantics/openAccessORIGINALAlves.pdfAlves.pdfapplication/pdf173961https://repositorio.ufba.br/bitstream/ri/8456/1/Alves.pdf9ef924e76ef135c74a314a54b523436fMD51LICENSElicense.txtlicense.txttext/plain1762https://repositorio.ufba.br/bitstream/ri/8456/2/license.txt1b89a9a0548218172d7c829f87a0eab9MD52TEXTAlves.pdf.txtAlves.pdf.txtExtracted texttext/plain5742https://repositorio.ufba.br/bitstream/ri/8456/3/Alves.pdf.txt5f2ebb18bc74a7d7b492941bab26cb7cMD53ri/84562022-07-05 14:03:48.772oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:48Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation
dc.title.alternative.pt_BR.fl_str_mv Materials Science and Engineering: B
title Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation
spellingShingle Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation
Alves, J. L. A.
Hydrogen
Oxygen
Chlorine
Adsorption
Silver
title_short Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation
title_full Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation
title_fullStr Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation
title_full_unstemmed Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation
title_sort Hydrogen, oxygen and chlorine adsorption on ag(110) surface: a cluster calculation
author Alves, J. L. A.
author_facet Alves, J. L. A.
Alves, H. W. Leite
Castilho, Caio Mário Castro de
author_role author
author2 Alves, H. W. Leite
Castilho, Caio Mário Castro de
author2_role author
author
dc.contributor.author.fl_str_mv Alves, J. L. A.
Alves, H. W. Leite
Castilho, Caio Mário Castro de
Alves, J. L. A.
Alves, H. W. Leite
Castilho, Caio Mário Castro de
dc.subject.por.fl_str_mv Hydrogen
Oxygen
Chlorine
Adsorption
Silver
topic Hydrogen
Oxygen
Chlorine
Adsorption
Silver
description Texto completo: acesso restrito. p.139–141
publishDate 1996
dc.date.issued.fl_str_mv 1996
dc.date.accessioned.fl_str_mv 2013-02-16T03:27:34Z
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://www.repositorio.ufba.br/ri/handle/ri/8456
dc.identifier.issn.none.fl_str_mv 0921-5107
dc.identifier.number.pt_BR.fl_str_mv v. 37, n. 1-3
identifier_str_mv 0921-5107
v. 37, n. 1-3
url http://www.repositorio.ufba.br/ri/handle/ri/8456
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
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