Fwalo, CheweKochaev, A.Mapasha, Refilwe Edwin2025-03-182025-03-182025-05Fwalo, 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.2025.122700.0039-6028 (print)1879-2758 (online)10.1016/j.susc.2025.122700http://hdl.handle.net/2263/101543DATA AVAILABILITY : Data will be made available on request.Please read abstract in the article.en© 2025 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).Density functional theory (DFT)Ab initio molecular dynamicsLithium batteriesSodium-ion batteriesβ12 boropheneDiffusion mechanismsSDG-07: Affordable and clean energyArticle