Auxetic properties of a newly proposed γ-graphyne-like material

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MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.contributorUniversidade Estadual de Campinas (UNICAMP)-
Autor(es): dc.creatorPaupitz, Ricardo-
Autor(es): dc.creatorda Silva, Tales J.-
Autor(es): dc.creatorCaldas, Marilia J.-
Autor(es): dc.creatorGalvão, Douglas S.-
Autor(es): dc.creatorFonseca, Alexandre F.-
Data de aceite: dc.date.accessioned2025-08-21T21:41:04Z-
Data de disponibilização: dc.date.available2025-08-21T21:41:04Z-
Data de envio: dc.date.issued2022-04-28-
Data de envio: dc.date.issued2022-04-28-
Data de envio: dc.date.issued2021-12-31-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.cplett.2021.139220-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/222920-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/222920-
Descrição: dc.descriptionA new auxetic (negative Poisson's ratio values) structure based on a γ-graphyne structure, here named AγG structure, is proposed. The AγG structural/mechanical and electronic properties, as well as its thermal stability, were investigated using classical reactive and quantum molecular dynamics simulations. AγG is shown to have a bandgap larger than 1.6 eV and be thermally stable at a large range of temperatures. The classical and quantum results validate that the AγG is auxetic, both when isolated (vacuum) and when deposited on a copper substrate. We believe that this is the densest auxetic structure belonging to the graphyne-like families.-
Descrição: dc.descriptionPhysics Department São Paulo State University - UNESP-
Descrição: dc.descriptionInstitute of Physics University of São Paulo, CEP 05508-090-
Descrição: dc.descriptionApplied Physics Department Institute of Physics “Gleb Wataghin” State University of Campinas-
Descrição: dc.descriptionPhysics Department São Paulo State University - UNESP-
Idioma: dc.languageen-
Relação: dc.relationChemical Physics Letters-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectCarbon materials-
Palavras-chave: dc.subjectElastic properties-
Palavras-chave: dc.subjectSimulation and modelling-
Título: dc.titleAuxetic properties of a newly proposed γ-graphyne-like material-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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