Ag doping effect on electronic and thermoelectric properties of SrTiO3 (0 0 1) surface

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MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorFederal Institute of Maranhão – IFMA-
Autor(es): dc.creatorAzevedo, Sérgio A.-
Autor(es): dc.creatorA. S. Laranjeira, José-
Autor(es): dc.creatorMartins, Nicolas F.-
Autor(es): dc.creatorSambrano, Júlio R.-
Data de aceite: dc.date.accessioned2025-08-21T17:23:05Z-
Data de disponibilização: dc.date.available2025-08-21T17:23:05Z-
Data de envio: dc.date.issued2023-07-29-
Data de envio: dc.date.issued2023-07-29-
Data de envio: dc.date.issued2023-08-01-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.commatsci.2023.112274-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/247436-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/247436-
Descrição: dc.descriptionThe search for sustainable energy sources has been a global demand in recent decades. In this context, thermoelectric materials (TE) have been an interesting alternative for this purpose and constitute a relevant research topic for increasing the efficiency of sustainable energy production. In this sense, computational simulation of the functionalization of SrTiO3 is proposed via Ag-doping on the (0 0 1) surface. The results show the emergence of a midgap trap state, leading to a band gap energy decrease, an increase in dielectric constants and the effective mass electron. The Ag-doping generates a decrease in electrical conductivity and an increase in the figure of merit, which are associated with a significant reduction in thermal conductivity (∼5 times), indicating that the material can be used with TE at high temperatures. The Ag-SrTiO3 (0 0 1) surface is promising for developing new thermoelectric devices.-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University – UNESP, SP-
Descrição: dc.descriptionFederal Institute of Maranhão – IFMA, Ma-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University – UNESP, SP-
Idioma: dc.languageen-
Relação: dc.relationComputational Materials Science-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subject(0 0 1) surface and thermoelectric-
Palavras-chave: dc.subjectAg-
Palavras-chave: dc.subjectDoping-
Palavras-chave: dc.subjectSrTiO3-
Título: dc.titleAg doping effect on electronic and thermoelectric properties of SrTiO3 (0 0 1) surface-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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