Estudio estructural del MoO3 y sus planos cristalinos

Detalhes bibliográficos
Autor(a) principal: Gesari,Susana
Data de Publicação: 1997
Outros Autores: Irigoyen,Beatriz, Juan,Alfredo
Tipo de documento: Artigo
Idioma: spa
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421997000100013
Resumo: In the present work we present geometric models of the most studied MoO3 surfaces, which were obtained using the DTMM 2.0 Molecular Modeller software. MoO3 has an orthorhombic layered structure, with each layer comprised of two interleaved planes of MoO6 octahedral. These layers are parallel to the (010) crystal plane and only oxygen ions are exposed on their surfaces. This situation results in weak van der Waals bonding between layers and in a relatively inert surface. In our approach to surface geometric structure we consider "ideal" crystal surface, in which the bulk atomic arrangement is maintained. These surfaces were generated by imaginary cleavage along appropriate planes in the bulk crystal structure.
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spelling Estudio estructural del MoO3 y sus planos cristalinosmolybdenum oxidecrystal structuresmolecular modelingIn the present work we present geometric models of the most studied MoO3 surfaces, which were obtained using the DTMM 2.0 Molecular Modeller software. MoO3 has an orthorhombic layered structure, with each layer comprised of two interleaved planes of MoO6 octahedral. These layers are parallel to the (010) crystal plane and only oxygen ions are exposed on their surfaces. This situation results in weak van der Waals bonding between layers and in a relatively inert surface. In our approach to surface geometric structure we consider "ideal" crystal surface, in which the bulk atomic arrangement is maintained. These surfaces were generated by imaginary cleavage along appropriate planes in the bulk crystal structure.Sociedade Brasileira de Química1997-02-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421997000100013Química Nova v.20 n.1 1997reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0100-40421997000100013info:eu-repo/semantics/openAccessGesari,SusanaIrigoyen,BeatrizJuan,Alfredospa2008-09-18T00:00:00Zoai:scielo:S0100-40421997000100013Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2008-09-18T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Estudio estructural del MoO3 y sus planos cristalinos
title Estudio estructural del MoO3 y sus planos cristalinos
spellingShingle Estudio estructural del MoO3 y sus planos cristalinos
Gesari,Susana
molybdenum oxide
crystal structures
molecular modeling
title_short Estudio estructural del MoO3 y sus planos cristalinos
title_full Estudio estructural del MoO3 y sus planos cristalinos
title_fullStr Estudio estructural del MoO3 y sus planos cristalinos
title_full_unstemmed Estudio estructural del MoO3 y sus planos cristalinos
title_sort Estudio estructural del MoO3 y sus planos cristalinos
author Gesari,Susana
author_facet Gesari,Susana
Irigoyen,Beatriz
Juan,Alfredo
author_role author
author2 Irigoyen,Beatriz
Juan,Alfredo
author2_role author
author
dc.contributor.author.fl_str_mv Gesari,Susana
Irigoyen,Beatriz
Juan,Alfredo
dc.subject.por.fl_str_mv molybdenum oxide
crystal structures
molecular modeling
topic molybdenum oxide
crystal structures
molecular modeling
description In the present work we present geometric models of the most studied MoO3 surfaces, which were obtained using the DTMM 2.0 Molecular Modeller software. MoO3 has an orthorhombic layered structure, with each layer comprised of two interleaved planes of MoO6 octahedral. These layers are parallel to the (010) crystal plane and only oxygen ions are exposed on their surfaces. This situation results in weak van der Waals bonding between layers and in a relatively inert surface. In our approach to surface geometric structure we consider "ideal" crystal surface, in which the bulk atomic arrangement is maintained. These surfaces were generated by imaginary cleavage along appropriate planes in the bulk crystal structure.
publishDate 1997
dc.date.none.fl_str_mv 1997-02-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421997000100013
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421997000100013
dc.language.iso.fl_str_mv spa
language spa
dc.relation.none.fl_str_mv 10.1590/S0100-40421997000100013
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Química Nova v.20 n.1 1997
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
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