A comparative studyof the interactionof nickel, titanium,palladium, andgold metalswith single-walled carbonnanotubes:A DFT approach

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dc.contributor.authorKayang, K.W.
dc.contributor.authorNyankson, E.
dc.contributor.authorEfavi, J.K.
dc.contributor.authorApalangya, V.A.
dc.contributor.authorTia, Richard
dc.contributor.authoret. al
dc.date.accessioned2020-07-08T11:38:06Z
dc.date.accessioned2023-04-19T02:06:27Z
dc.date.available2020-07-08T11:38:06Z
dc.date.available2023-04-19T02:06:27Z
dc.date.issued2019-02-20
dc.descriptionAn article published by Elsevier B.V. and also available at https://doi.org/10.1016/j.rinp.2019.02.062en_US
dc.description.abstractInteractions between transition metal atoms, nickel, titanium, palladium and gold and (3,3), (4,2), (6,0) and(5,1) carbon nanotubes were studied using first principles calculations. The Fermi energy levels of the carbonnanotubesstudiedwerefoundtoincreaseduringinteractionswiththetransitionmetalatoms.Amongstthefourmetals, gold atom was found to have an enhanced interaction with the nanotubes transforming from semi-conductingtoaconductingtube.Titaniumwasalsofoundtoshowsimilarcharacteristicstogoldonlywhentheatomwasplacedinthemiddleofthecarbonnanotubes.Nickelandpalladiumatomsinteractionsdidnotaffectmuchtheelectronicpropertiesofthecarbonnanotubes,withsomeslightchangesintheelectronicpropertiesatsomespecificsitesofthenanotubes.Itisproposedfromthisstudythat,thecarbonnanotube-metalinteractionscould be used as a guide to shed light on the electronic properties of such materials which could become pro-mising engineering materialsand revolutionizethe electronic industry.en_US
dc.description.sponsorshipKNUSTen_US
dc.identifier.citationK.W.Kayang,etal.Results in Physics 12 (2019) 2100–2106. https://doi.org/10.1016/j.rinp.2019.02.062en_US
dc.identifier.urihttps://ir.knust.edu.gh/handle/123456789/12658
dc.language.isoenen_US
dc.publisherElsevier B.V.en_US
dc.subjectCarbon nanotubesen_US
dc.subjectDensity FunctionalTheoryen_US
dc.subjectTransition metalsen_US
dc.subjectFermi energy levelen_US
dc.titleA comparative studyof the interactionof nickel, titanium,palladium, andgold metalswith single-walled carbonnanotubes:A DFT approachen_US
dc.typeArticleen_US
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