The metallic C6S monolayer with high specific capacity for K-ion batteries

M. Tang, Udo Schwingenschlögl, Guochun Yang

Research output: Contribution to journalArticlepeer-review

Abstract

K-ion batteries (KIBs) attract considerable attention due to the abundance of K, high-working voltages, and chemical similarity with Li, enabling the utilization of mature Li-ion technology. However, shortage of high-performance anode materials is a critical obstacle for the development of KIBs. Through first-principles swarm-intelligence structural search, we identify a potential anode material, the C6S monolayer, which provides not only a remarkably high specific capacity of 1546 mAh/g but also a low diffusion barrier of 0.11 eV and a low open-circuit voltage of 0.21 V. Inherent metallicity originates from delocalized π electrons.
Original languageEnglish (US)
Pages (from-to)100951
JournalMaterials Today Chemistry
Volume25
DOIs
StatePublished - Jun 20 2022

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