Issue 7, 2024

A metallic two-dimensional b-BS2 monolayer as a superior Na/K-ion battery anode

Abstract

Two-dimensional (2D) materials with light weight and ultra-high electrical conductivity are expected to exhibit high capacity as anodes of batteries. We have explored the curved square lattice BS2 (b-BS2) monolayer possessing a space group similar to the transition metal chloride (space group: P[4 with combining macron]M2). The electrochemical performance of the b-BS2 monolayer as the anode for various metal-ion batteries (Li, Na, K, Mg, Ca, and Al) has been investigated. It exhibits low diffusion energy barrier, high theoretical capacity, and low open circuit voltage for Na/K-ion batteries (SIBs/PIBs). The ultrahigh energy densities of 2146.08 and 715.36 mA h gāˆ’1 can be achieved with the stoichiometries BS2Na6 and BS2K2, respectively. Furthermore, the b-BS2 monolayer may be synthesized on the surfaces of metal substrate materials (Ag(111), Al(111), and Au(111)). These results indicate that the b-BS2 monolayer is a good candidate for the anode material of SIBs/PIBs.

Graphical abstract: A metallic two-dimensional b-BS2 monolayer as a superior Na/K-ion battery anode

Supplementary files

Article information

Article type
Paper
Submitted
17 Sep 2023
Accepted
16 Jan 2024
First published
20 Jan 2024

Phys. Chem. Chem. Phys., 2024,26, 6208-6215

A metallic two-dimensional b-BS2 monolayer as a superior Na/K-ion battery anode

Z. Yang, W. Li and J. Zhang, Phys. Chem. Chem. Phys., 2024, 26, 6208 DOI: 10.1039/D3CP04506D

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