| Texto completo | |
| Autor(es): |
de Rezende Neto, Armando S.
;
Seixas, Leandro
Número total de Autores: 2
|
| Tipo de documento: | Artigo Científico |
| Fonte: | International Journal of Quantum Chemistry; v. 121, n. 9, p. 7-pg., 2021-01-11. |
| Resumo | |
The discovery and design of materials for Li-ion batteries are essential for increasing battery energy storage capacity and lifetime, enhancing security, and shortening charging time. Recently, novel two-dimensional materials have been investigated for application in battery components, including the anode. The limiting factors in the development of these materials are their low structural stability upon Li+ adsorption, propensity to form Li dendrites, and slow diffusion of Li+ ions. In this study, based on density functional theory calculations, we show that the two-dimensional material 2H-NbS2 has outstanding physical properties for application in Li-ion batteries, including high structural stability with Li+ adsorption and ultrafast Li diffusion at room temperature. These results highlight the promise of 2H-NbS2 as an appealing material for Li-ion batteries. (AU) | |
| Processo FAPESP: | 17/00486-1 - Graphene 2017 |
| Beneficiário: | Leandro Seixas Rocha |
| Modalidade de apoio: | Auxílio à Pesquisa - Reunião - Exterior |