Unveiling the Superiority of naphthylene over biphenylene in silicon carbide 2D Architectures

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorFederal Institute of Maranhao-
Autor(es): dc.contributorUDELAR-
Autor(es): dc.creatorLaranjeira, Jose A.S.-
Autor(es): dc.creatorMartins, Nicolas F.-
Autor(es): dc.creatorAzevedo, Sérgio A.-
Autor(es): dc.creatorDenis, Pablo A.-
Autor(es): dc.creatorSambrano, Julio R.-
Data de aceite: dc.date.accessioned2025-08-21T20:38:01Z-
Data de disponibilização: dc.date.available2025-08-21T20:38:01Z-
Data de envio: dc.date.issued2025-04-29-
Data de envio: dc.date.issued2025-03-01-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.commatsci.2025.113743-
Fonte completa do material: dc.identifierhttps://hdl.handle.net/11449/299945-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/299945-
Descrição: dc.descriptionIn recent years, silicon carbide (SiC) has once again become a target of interest in the materials science community, this time with particular interest in two-dimensional materials, which have attracted attention due to their large surface area and infinitesimal volume. In this sense, this study introduces a novel SiC structure based on the recently reported naphthylene lattice, termed INP-SiC. It compares its electronic, mechanical and vibrational properties with the well-reported biphenylene-like SiC (BPN-SiC) via density functional theory (DFT) simulations. Both monolayers are stable at 300 K and exhibit high electron mobility, with INP-SiC reaching 94.890 102 cm2/V.s. INP-SiC also shows superior mechanical robustness, with Young's modulus (171.65 N/m) comparable to g-SiC (178.02 N/m) and T-SiC (182.22 N/m). Overall, this work is dedicated to showing the INP-SiC potential as a multifunctional 2D platform.-
Descrição: dc.descriptionUniversidade Estadual Paulista-
Descrição: dc.descriptionModeling and Molecular Simulation Group School of Sciences São Paulo State University, SP-
Descrição: dc.descriptionFederal Institute of Maranhao, MA-
Descrição: dc.descriptionComputational Nanotechnology DETEMA Facultad de Quimica UDELAR, Montevideo-
Descrição: dc.descriptionModeling and Molecular Simulation Group School of Sciences São Paulo State University, SP-
Idioma: dc.languageen-
Relação: dc.relationComputational Materials Science-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subject2D-
Palavras-chave: dc.subjectBiphenylene-
Palavras-chave: dc.subjectNaphthylene-
Palavras-chave: dc.subjectSiC-
Palavras-chave: dc.subjectSilicon carbide-
Palavras-chave: dc.subject2d-
Palavras-chave: dc.subjectCarbide structure-
Palavras-chave: dc.subjectLarge surface area-
Palavras-chave: dc.subjectMaterial science-
Palavras-chave: dc.subjectScience community-
Palavras-chave: dc.subjectStructure-based-
Palavras-chave: dc.subjectTargets of interest-
Palavras-chave: dc.subjectTwo-dimensional materials-
Título: dc.titleUnveiling the Superiority of naphthylene over biphenylene in silicon carbide 2D Architectures-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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