| Full text | |
| Author(s): |
Martins, Nicolas F.
;
Fabris, Guilherme S. L.
;
Maia, Ary S.
;
Albuquerque, Anderson R.
;
Sambrano, Julio R.
Total Authors: 5
|
| Document type: | Journal article |
| Source: | FLATCHEM; v. 35, p. 8-pg., 2022-07-22. |
| 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. (AU) | |
| FAPESP's process: | 22/03959-6 - Two-dimensional structures for energy storage and gas sensors: theory aimed at experimentalists and for scientific dissemination |
| Grantee: | Julio Ricardo Sambrano |
| Support Opportunities: | Regular Research Grants |
| 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 |
| FAPESP's process: | 22/00349-2 - Performance of CO adsorption on inorganic SiC-based graphenylene doped with Fe, Co and Mn |
| Grantee: | Nicolas Ferreira Martins |
| Support Opportunities: | Scholarships in Brazil - Master |
| 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 |