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

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dc.contributor.authorGouveia, Amanda F.
dc.contributor.authorFerrer, Mateus M. [UNESP]
dc.contributor.authorSambrano, Júlio R. [UNESP]
dc.contributor.authorAndrés, Juan
dc.contributor.authorLongo, Elson
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversity Jaume I (UJI)
dc.date.accessioned2018-12-11T16:43:27Z
dc.date.available2018-12-11T16:43:27Z
dc.date.issued2016-09-01
dc.description.abstractIn 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.en
dc.description.affiliationCDMF Universidade Federal de São Carlos (UFSCar), P.O. Box 676
dc.description.affiliationModeling and Molecular Simulations Group São Paulo State University (UNESP), P.O. Box 473
dc.description.affiliationDepartment of Analytical and Physical Chemistry University Jaume I (UJI)
dc.description.affiliationUnespModeling and Molecular Simulations Group São Paulo State University (UNESP), P.O. Box 473
dc.format.extent87-92
dc.identifierhttp://dx.doi.org/10.1016/j.cplett.2016.08.013
dc.identifier.citationChemical Physics Letters, v. 660, p. 87-92.
dc.identifier.doi10.1016/j.cplett.2016.08.013
dc.identifier.file2-s2.0-84981543783.pdf
dc.identifier.issn0009-2614
dc.identifier.lattes6284168579617066
dc.identifier.scopus2-s2.0-84981543783
dc.identifier.urihttp://hdl.handle.net/11449/168876
dc.language.isoeng
dc.relation.ispartofChemical Physics Letters
dc.relation.ispartofsjr0,656
dc.rights.accessRightsAcesso aberto
dc.sourceScopus
dc.subjectMorphology
dc.subjectSurface energy
dc.subjectt-LaVO4
dc.subjectWulff construction
dc.titleModeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4en
dc.typeArtigo
dspace.entity.typePublication
unesp.author.lattes6284168579617066[7]

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