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

dc.contributor.authorFwalo, Chewe
dc.contributor.authorKochaev, A.
dc.contributor.authorMapasha, Refilwe Edwin
dc.date.accessioned2025-03-18T08:13:41Z
dc.date.available2025-03-18T08:13:41Z
dc.date.issued2025-05
dc.descriptionDATA AVAILABILITY : Data will be made available on request.en_US
dc.description.abstractPlease read abstract in the article.en_US
dc.description.departmentPhysicsen_US
dc.description.librarianhj2024en_US
dc.description.sdgSDG-07:Affordable and clean energyen_US
dc.description.sponsorshipThe 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.urihttps://www.elsevier.com/locate/suscen_US
dc.identifier.citationFwalo, 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.issn0039-6028 (print)
dc.identifier.issn1879-2758 (online)
dc.identifier.other10.1016/j.susc.2025.122700
dc.identifier.urihttp://hdl.handle.net/2263/101543
dc.language.isoenen_US
dc.publisherElsevieren_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.subjectDensity functional theory (DFT)en_US
dc.subjectAb initio molecular dynamicsen_US
dc.subjectLithium batteriesen_US
dc.subjectSodium-ion batteriesen_US
dc.subjectβ12 boropheneen_US
dc.subjectDiffusion mechanismsen_US
dc.subjectSDG-07: Affordable and clean energyen_US
dc.titleUnderstanding diffusion behavior of multiple Li and Na-ions on a β12-borophene electrode : a first-principles studyen_US
dc.typeArticleen_US

Files

Original bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
Fwalo_Understanding_2025.pdf
Size:
3.56 MB
Format:
Adobe Portable Document Format
Description:
Article
Download

License bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

Research Articles (Physics)
Research Articles (University of Pretoria)
Simple item page