A promising nanoporous AlxGa(1-x)N nanosheet based on octagraphene

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorFederal University of Rio Grande do Norte-
Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.creatorFabris, Guilherme S.L.-
Autor(es): dc.creatorPaskocimas, Carlos A.-
Autor(es): dc.creatorSambrano, Julio R. [UNESP]-
Autor(es): dc.creatorPaupitz, Ricardo [UNESP]-
Data de aceite: dc.date.accessioned2022-02-22T00:44:22Z-
Data de disponibilização: dc.date.available2022-02-22T00:44:22Z-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-01-31-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.matlet.2020.128916-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/205459-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/205459-
Descrição: dc.descriptionA new class of 2D inorganic materials named octa-AlxGa(1-x)N (x=0,0.25,0.5,0.75and1) with the octa-graphene architecture is theoretically investigated by Density Functional Theory simulations. It was found that the energy band gap increased with the introduction of Al atoms. The calculated Young modulus is within the range (46.02 N/m ⩽Y2D⩽53.66 N/m) and Poisson's ratio within (0.733⩽ν⩽0.783), while frequency calculations reveal that these structures are dynamically stable. Energetic barriers for Li, Na and K diffusion were also studied and were found values lower than those calculated for octa-graphene in a previous work.-
Descrição: dc.descriptionMaterials Science and Engineering Postgraduate Program Department of Materials Engineering Federal University of Rio Grande do Norte-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University-
Descrição: dc.descriptionSao Paulo State University – UNESP Physics Department-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University-
Descrição: dc.descriptionSao Paulo State University – UNESP Physics Department-
Idioma: dc.languageen-
Relação: dc.relationMaterials Letters-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subject2D-Materials-
Palavras-chave: dc.subjectDensity Functional Theory-
Palavras-chave: dc.subjectElectronic Structure-
Palavras-chave: dc.subjectGaN-
Palavras-chave: dc.subjectHackelite-
Palavras-chave: dc.subjectOcta-graphene-
Palavras-chave: dc.subjectRaman-
Título: dc.titleA promising nanoporous AlxGa(1-x)N nanosheet based on octagraphene-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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