A new multifunctional two-dimensional monolayer based on silicon carbide

Autor(es)

Martins, Nicolas F. ^[1] ; Fabris, Guilherme S. L. ^[2] ; Albuquerque, Anderson R. ^[3] ; Sambrano, Julio R. ^[1]

Afiliação do(s) autor(es)

^[1] Sao Paulo State Univ, Modeling & Mol Simulat Grp, BR-17033360 Bauru, SP - Brazil

^[2] Univ Fed Rio Grande do Norte, Dept Mat Engn, BR-59078970 Natal, RN - Brazil

^[3] Univ Fed Rio Grande do Norte, Chem Inst, BR-59078970 Natal, RN - Brazil

• Tipo de documento: Artigo Científico
• Fonte: FLATCHEM; v. 30, NOV 2021.
• Citações Web of Science: 0

Resumo

The family of two-dimensional materials is already a reality in the application of several technological devices. It is the motivation behind the search for unknown 2D structures using computational simulations, which can reveal the synthesis potential and their properties, thereby assisting experimentalists in targeting their applications. This is the case with the inorganic graphenylene-like silicon carbide (IGP-SiC), which is proposed and theoretically investigated in this paper for the first time. The IGP-SiC has an indirect band gap energy (3.22 eV) and thermal dynamic stability (-2100 K). Among its many applications, it has the potential to be used as an anode in next-generation batteries, as a gas sensor, and in band gap engineering in electronic devices. (AU)

• Processo FAPESP: 20/10380-9 - Estudo teórico da aplicabilidade de monocamadas de SiC poroso como material anodo em baterias de lítio-sódio
• Beneficiário: Nicolas Ferreira Martins
• Modalidade de apoio: Bolsas no Brasil - Iniciação Científica
• Processo FAPESP: 19/08928-9 - Modelagem e Simulações da Funcionalização de Nanotubos Porosos Inorgânicos
• Beneficiário: Julio Ricardo Sambrano
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais
• Beneficiário: Elson Longo da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs