Inorganic graphenylene-like silicon carbide as anode material for Na batteries

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MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorFederal University of Rio Grande do Norte-
Autor(es): dc.contributorFederal University of Paraíba-
Autor(es): dc.creatorMartins, Nicolas F.-
Autor(es): dc.creatorFabris, Guilherme S. L.-
Autor(es): dc.creatorMaia, Ary S.-
Autor(es): dc.creatorAlbuquerque, Anderson R.-
Autor(es): dc.creatorSambrano, Julio R.-
Data de aceite: dc.date.accessioned2025-08-21T16:51:06Z-
Data de disponibilização: dc.date.available2025-08-21T16:51:06Z-
Data de envio: dc.date.issued2023-03-01-
Data de envio: dc.date.issued2023-03-01-
Data de envio: dc.date.issued2022-09-01-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.flatc.2022.100410-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/240522-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/240522-
Descrição: dc.descriptionSodium-based batteries are a viable alternative due to the abundance of Na in the environment and their higher sustainability compared to traditional lithium batteries. In this sense, density functional simulations were carried out to investigate the efficiency of the inorganic graphenylene-like silicon carbide (IGP-SiC), a semiconductor with a band gap energy of 3.22 eV, as a promising anode for sodium-based batteries, with a specific capacity of 610.46 mAh.g−1 and an atomic proportion of Na1.92SiC without the metal clustering process. Also is revealed that IGP-SiC exhibits conductive behavior with the first approximation of a Na atom. A range of 1.65 eV − 1.12 eV on Open-Circuit Voltage, an essential parameter in the commercial exploitation of batteries, was verified.-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University, SP-
Descrição: dc.descriptionDepartment of Materials Engineering Federal University of Rio Grande do Norte, RN-
Descrição: dc.descriptionChemistry Department Federal University of Paraíba, PB-
Descrição: dc.descriptionChemistry Institute Federal University of Rio Grande do Norte, RN-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University, SP-
Idioma: dc.languageen-
Relação: dc.relationFlatChem-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectAdsorption-
Palavras-chave: dc.subjectDFT-
Palavras-chave: dc.subjectGraphenylene-
Palavras-chave: dc.subjectSiC-
Palavras-chave: dc.subjectSodium batteries-
Título: dc.titleInorganic graphenylene-like silicon carbide as anode material for Na batteries-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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