Toward a two-dimensional NbS2-based electrode for lithium–ion batteries
Tipo
Artigo
Data de publicação
2021
Periódico
International Journal of Quantum Chemistry
Citações (Scopus)
6
Autores
de Rezende Neto A.S.
Seixas L.
Seixas L.
Orientador
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Título de Volume
Membros da banca
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Resumo
© 2021 Wiley Periodicals LLC.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.
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Assuntos Scopus
Battery energy storage , Ion batteries , Li diffusion , Slow diffusion , Structural stabilities , Two-dimensional materials , Ultra-fast