Enhancement of lithiation on a graphane monolayer through extended H vacancy pathways : an ab initio study

dc.contributor.authorKgalema, Sentserere Phodisho
dc.contributor.authorDiale, M. (Mmantsae Moche)
dc.contributor.authorIgumbor, Emmanuel
dc.contributor.authorMapasha, Refilwe Edwin
dc.contributor.emailedwin.mapasha@up.ac.zaen_US
dc.date.accessioned2023-04-20T10:51:05Z
dc.date.available2023-04-20T10:51:05Z
dc.date.created2023
dc.date.issued2024-01
dc.descriptionDATA AVAILABILITY : Data will be made available on request.
dc.description.abstractPlease read abstract in the articleen_US
dc.description.departmentPhysicsen_US
dc.description.sponsorshipThe University of Pretoria, NITheCS program, NRF and Medea VASP.en_US
dc.description.urihttp://www.elsevier.com/locate/physb
dc.format.mimetypeArticle
dc.identifier.citationKgalema, S.P., Diale, M., Igumbor, E. & R.E. Mapasha, R.E. 2024, 'Enhancement of lithiation on a graphane monolayer through extended H vacancy pathways: an ab initio study', Physica B: Condensed Matter, vol. 673, art. 415490, pp. 1-8, doi : 10.1016/j.physb.2023.415490.en_US
dc.identifier.doi10.1016/j.physb.2023.415490en_US
dc.identifier.issn0921-4526 (print)
dc.identifier.issn1873-2135 (online)
dc.identifier.urihttp://hdl.handle.net/2263/90408
dc.language.isoenen_US
dc.publisherElsevier
dc.rights© 2023 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
dc.subjectDensity functional theory (DFT)
dc.subjectGraphane
dc.subjectHydrogen vacancies
dc.subjectLithiation potential
dc.subjectStorage capacity
dc.subjectLi-ions batteries
dc.titleEnhancement of lithiation on a graphane monolayer through extended H vacancy pathways : an ab initio studyen_US
dc.typeArticleen_US

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