CuS2 sheets: a hidden anode material with a high capacity for sodium-ion batteries. Issue 4 (5th January 2021)

• Record Type: Journal Article
• Authors: Lu, Shaohua; Hu, Weidong; Hu, Xiaojun
• Is Part Of: Journal of materials chemistry. Volume 9:Issue 4(2021)
• Page Start: 1387
• Page End: 1395
• Publication Date: 2021-01-05
• Subjects: Materials -- Periodicals; Chemistry, Analytic -- Periodicals; Optical materials -- Research -- Periodicals; Electronics -- Materials -- Research -- Periodicals; 543.0284
• DOI: 10.1039/d0tc04946h
• Languages: English
• ISSNs: 2050-7526

Abstract

Abstract : Due to their low cost and improved safety compared to lithium-ion batteries, sodium-ion batteries have attracted worldwide attention in recent decades. Abstract : Due to their low cost and improved safety compared to lithium-ion batteries, sodium-ion batteries have attracted worldwide attention in recent decades. In this work, a hitherto unknown two-dimensional phase of copper disulfide (α-CuS2 ) is proposed. First-principles calculations reveal that the proposed monolayer is both statically and dynamically stable. The calculated Na storage capacity reaches up to 841 mA h g −1 and the diffusion energy barrier is only 0.2 eV. Furthermore, we propose a plausible massive synthesis route, which is through mechanical or chemical exfoliation from its bulk counterpart. Our results indicate that the proposed α-CuS2 monolayer is a promising anode material for sodium-ion batteries.