Browsing by Author "Efavi, J.K."

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    A comparative studyof the interactionof nickel, titanium,palladium, andgold metalswith single-walled carbonnanotubes:A DFT approach
    (Elsevier B.V., 2019-02-20) Kayang, K.W.; Nyankson, E.; Efavi, J.K.; Apalangya, V.A.; Tia, Richard; et. al
    Interactions 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.