Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4

Detalhes bibliográficos
Autor(a) principal: Gouveia, Amanda F.
Data de Publicação: 2016
Outros Autores: Ferrer, Mateus M. [UNESP], Sambrano, Júlio R. [UNESP], Andrés, Juan, Longo, Elson
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1016/j.cplett.2016.08.013
http://hdl.handle.net/11449/168876
Resumo: In this communication, a systematic study of the surface structure, including energy management during morphological transformations of tetragonal phase of LaVO4, has been carried out. For this study, we combined experimental findings and first-principles calculations to develop a Wulff construction model. Our findings can help further understand the synthetic control of crystal shape via tuning of surface chemistry.
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spelling Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4MorphologySurface energyt-LaVO4Wulff constructionIn this communication, a systematic study of the surface structure, including energy management during morphological transformations of tetragonal phase of LaVO4, has been carried out. For this study, we combined experimental findings and first-principles calculations to develop a Wulff construction model. Our findings can help further understand the synthetic control of crystal shape via tuning of surface chemistry.CDMF Universidade Federal de São Carlos (UFSCar), P.O. Box 676Modeling and Molecular Simulations Group São Paulo State University (UNESP), P.O. Box 473Department of Analytical and Physical Chemistry University Jaume I (UJI)Modeling and Molecular Simulations Group São Paulo State University (UNESP), P.O. Box 473Universidade Federal de São Carlos (UFSCar)Universidade Estadual Paulista (Unesp)University Jaume I (UJI)Gouveia, Amanda F.Ferrer, Mateus M. [UNESP]Sambrano, Júlio R. [UNESP]Andrés, JuanLongo, Elson2018-12-11T16:43:27Z2018-12-11T16:43:27Z2016-09-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article87-92application/pdfhttp://dx.doi.org/10.1016/j.cplett.2016.08.013Chemical Physics Letters, v. 660, p. 87-92.0009-2614http://hdl.handle.net/11449/16887610.1016/j.cplett.2016.08.0132-s2.0-849815437832-s2.0-84981543783.pdf6284168579617066Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengChemical Physics Letters0,656info:eu-repo/semantics/openAccess2024-01-06T06:26:12Zoai:repositorio.unesp.br:11449/168876Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T22:15:26.654168Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
title Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
spellingShingle Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
Gouveia, Amanda F.
Morphology
Surface energy
t-LaVO4
Wulff construction
title_short Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
title_full Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
title_fullStr Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
title_full_unstemmed Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
title_sort Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
author Gouveia, Amanda F.
author_facet Gouveia, Amanda F.
Ferrer, Mateus M. [UNESP]
Sambrano, Júlio R. [UNESP]
Andrés, Juan
Longo, Elson
author_role author
author2 Ferrer, Mateus M. [UNESP]
Sambrano, Júlio R. [UNESP]
Andrés, Juan
Longo, Elson
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Universidade Federal de São Carlos (UFSCar)
Universidade Estadual Paulista (Unesp)
University Jaume I (UJI)
dc.contributor.author.fl_str_mv Gouveia, Amanda F.
Ferrer, Mateus M. [UNESP]
Sambrano, Júlio R. [UNESP]
Andrés, Juan
Longo, Elson
dc.subject.por.fl_str_mv Morphology
Surface energy
t-LaVO4
Wulff construction
topic Morphology
Surface energy
t-LaVO4
Wulff construction
description In this communication, a systematic study of the surface structure, including energy management during morphological transformations of tetragonal phase of LaVO4, has been carried out. For this study, we combined experimental findings and first-principles calculations to develop a Wulff construction model. Our findings can help further understand the synthetic control of crystal shape via tuning of surface chemistry.
publishDate 2016
dc.date.none.fl_str_mv 2016-09-01
2018-12-11T16:43:27Z
2018-12-11T16:43:27Z
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/10.1016/j.cplett.2016.08.013
Chemical Physics Letters, v. 660, p. 87-92.
0009-2614
http://hdl.handle.net/11449/168876
10.1016/j.cplett.2016.08.013
2-s2.0-84981543783
2-s2.0-84981543783.pdf
6284168579617066
url http://dx.doi.org/10.1016/j.cplett.2016.08.013
http://hdl.handle.net/11449/168876
identifier_str_mv Chemical Physics Letters, v. 660, p. 87-92.
0009-2614
10.1016/j.cplett.2016.08.013
2-s2.0-84981543783
2-s2.0-84981543783.pdf
6284168579617066
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Chemical Physics Letters
0,656
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 87-92
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
_version_ 1808129409577648128

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