Toward a two-dimensional NbS2-based electrode for lithium-ion batteries

Author(s)

de Rezende Neto, Armando S. ^{[1, 2]} ; Seixas, Leandro ^{[1, 2]}

Affiliation

^[1] Univ Prebiteriana Mackenzie, MackGraphe Graphene & Nanomat Res Ctr, Sao Paulo - Brazil

^[2] Univ Prebiteriana Mackenzie, Sch Engn, Rua Consolacao 896, BR-01302907 Sao Paulo, SP - Brazil

• Document type: Journal article
• Source: International Journal of Quantum Chemistry; v. 121, n. 9 JAN 2021.
• Web of Science Citations: 0

Abstract

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)

• FAPESP's process: 17/00486-1 - Graphene 2017
• Grantee: Leandro Seixas Rocha
• Support Opportunities: Research Grants - Meeting - Abroad