Understanding diffusion behavior of multiple Li and Na-ions on a β12-borophene electrode : a first-principles study

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Fwalo_Understanding_2025.pdf (3.56 MB)

Date

2025-05

Authors

Fwalo, Chewe
Kochaev, A.
Mapasha, Refilwe Edwin

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Volume Title

Publisher

Elsevier

Abstract

Please read abstract in the article.

Description

DATA AVAILABILITY : Data will be made available on request.

Keywords

Density functional theory (DFT), Ab initio molecular dynamics, Lithium batteries, Sodium-ion batteries, β12 borophene, Diffusion mechanisms, SDG-07: Affordable and clean energy

Sustainable Development Goals

SDG-07:Affordable and clean energy

Citation

Fwalo, C., Kochaev, A. & Mapasha, R.E. 2025, 'Understanding diffusion behavior of multiple Li and Na-ions on a β12-borophene electrode : a first-principles study', Surface Science, vol. 755, art. 122700, pp. 1-9, doi : 10.1016/j.susc.2025.122700.

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http://hdl.handle.net/2263/101543

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Research Articles (Physics)
Research Articles (University of Pretoria)
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