Inorganic graphenylene-like silicon carbide as anode material for Na batteries
Abstract: Sodium-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.
Author(s): Martins, N.F.; Fabris, G.S.L.; Maia, A.S.; Albuquerque, A.R.; Sambrano, J.R.
FlatChem
Published: September 2022, Volume 35, 100410
DOI: https://doi.org/10.1016/j.flatc.2022.100410
CDMF
The CDMF, hosted at the Federal University of São Carlos (UFSCar), is one of the Research, Innovation and Dissemination Centers (RIDC) supported by the São Paulo State Research Support Foundation (Fapesp), and also receives investment from the National Council Scientific and Technological Development (CNPq), from the National Institute of Science and Technology of Materials in Nanotechnology (INCTMN).
