Understanding diffusion behavior of multiple Li and Na-ions on a β12-borophene electrode : a first-principles study
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| dc.contributor.author | Fwalo, Chewe
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| dc.contributor.author | Kochaev, A.
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| dc.contributor.author | Mapasha, Refilwe Edwin
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| dc.date.accessioned | 2025-03-18T08:13:41Z | |
| dc.date.available | 2025-03-18T08:13:41Z | |
| dc.date.issued | 2025-05 | |
| dc.description | DATA AVAILABILITY : Data will be made available on request. | en_US |
| dc.description.abstract | Please read abstract in the article. | en_US |
| dc.description.department | Physics | en_US |
| dc.description.librarian | hj2024 | en_US |
| dc.description.sdg | SDG-07:Affordable and clean energy | en_US |
| dc.description.sponsorship | The Department of Innovation and Research at the University of Pretoria, South Africa and the National Institute for Theoretical and Computational Sciences (NTheCS). | en_US |
| dc.description.uri | https://www.elsevier.com/locate/susc | en_US |
| dc.identifier.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. | en_US |
| dc.identifier.issn | 0039-6028 (print) | |
| dc.identifier.issn | 1879-2758 (online) | |
| dc.identifier.other | 10.1016/j.susc.2025.122700 | |
| dc.identifier.uri | http://hdl.handle.net/2263/101543 | |
| dc.language.iso | en | en_US |
| dc.publisher | Elsevier | en_US |
| dc.rights | © 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/). | en_US |
| dc.subject | Density functional theory (DFT) | en_US |
| dc.subject | Ab initio molecular dynamics | en_US |
| dc.subject | Lithium batteries | en_US |
| dc.subject | Sodium-ion batteries | en_US |
| dc.subject | β12 borophene | en_US |
| dc.subject | Diffusion mechanisms | en_US |
| dc.subject | SDG-07: Affordable and clean energy | en_US |
| dc.title | Understanding diffusion behavior of multiple Li and Na-ions on a β12-borophene electrode : a first-principles study | en_US |
| dc.type | Article | en_US |
