A new multifunctional two-dimensional monolayer based on silicon carbide

Author(s)

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

Affiliation

^[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

• Document type: Journal article
• Source: FLATCHEM; v. 30, NOV 2021.
• Web of Science Citations: 0

Abstract

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)

• FAPESP's process: 20/10380-9 - Theoretical Study of porous SiC monolayer and its applicability as a lithium-sodium node in batteries
• Grantee: Nicolas Ferreira Martins
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• FAPESP's process: 19/08928-9 - Modeling and simulations of porous inorganic nanotubes functionalization
• Grantee: Julio Ricardo Sambrano
• Support Opportunities: Regular Research Grants
• FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
• Grantee: Elson Longo da Silva
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC