Show simple item record

dc.contributor.authorAndrés, Juan
dc.contributor.authorGracia, Lourdes
dc.contributor.authorGouveia, Amanda Fernandes
dc.contributor.authorFerrer, Mateus Meneghetti
dc.contributor.authorLongo, Elson [UNESP]
dc.date.accessioned2018-12-11T17:26:17Z
dc.date.available2018-12-11T17:26:17Z
dc.date.issued2015-09-17
dc.identifierhttp://dx.doi.org/10.1088/0957-4484/26/40/405703
dc.identifier.citationNanotechnology, v. 26, n. 40, 2015.
dc.identifier.issn1361-6528
dc.identifier.issn0957-4484
dc.identifier.urihttp://hdl.handle.net/11449/177603
dc.description.abstractMorphology is a key property of materials. Owing to their precise structure and morphology, crystals and nanocrystals provide excellent model systems for joint experimental and theoretical investigations into surface-related properties. Faceted polyhedral crystals and nanocrystals expose well-defined crystallographic planes depending on the synthesis method, which allow for thoughtful investigations into structure-reactivity relationships under practical conditions. This feature article introduces recent work, based on the combined use of experimental findings and first-principles calculations, to provide deeper knowledge of the electronic, structural, and energetic properties controlling the morphology and the transformation mechanisms of different metals and metal oxides: Ag, anatase TiO2, BaZrO3, and α-Ag2WO4. According to the Wulff theorem, the equilibrium shapes of these systems are obtained from the values of their respective surface energies. These investigations are useful to gain further understanding of how to achieve morphological control of complex three-dimensional crystals by tuning the ratio of the surface energy values of the different facets. This strategy allows the prediction of possible morphologies for a crystal and/or nanocrystal by controlling the relative values of surface energies.en
dc.language.isoeng
dc.relation.ispartofNanotechnology
dc.sourceScopus
dc.subjectmorphology
dc.subjectsurface energy
dc.subjectWulff theorem
dc.titleEffects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculationsen
dc.typeArtigo
dc.contributor.institutionUniversity Jaume i (UJI)
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.description.affiliationDepartment of Analytical and Physical Chemistry University Jaume i (UJI)
dc.description.affiliationINCTMN-UFSCar Universidade Federal de São Carlos, PO Box 676
dc.description.affiliationINCTMN-UNESP Universidade Estadual Paulista, PO Box 355
dc.description.affiliationUnespINCTMN-UNESP Universidade Estadual Paulista, PO Box 355
dc.identifier.doi10.1088/0957-4484/26/40/405703
dc.rights.accessRightsAcesso aberto
dc.identifier.scopus2-s2.0-84947440749
dc.identifier.file2-s2.0-84947440749.pdf
dc.relation.ispartofsjr1,079
dc.relation.ispartofsjr1,079
Localize o texto completo

Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record