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Please use this identifier to cite or link to this item: http://hdl.handle.net/123456789/12658

Title: A comparative studyof the interactionof nickel, titanium,palladium, andgold metalswith single-walled carbonnanotubes:A DFT approach
Authors: Kayang, K.W.
Nyankson, E.
Efavi, J.K.
Apalangya, V.A.
Tia, Richard
et. al
Keywords: Carbon nanotubes
Density FunctionalTheory
Transition metals
Fermi energy level
Issue Date: 20-Feb-2019
Publisher: Elsevier B.V.
Citation: K.W.Kayang,etal.Results in Physics 12 (2019) 2100–2106. https://doi.org/10.1016/j.rinp.2019.02.062
Abstract: 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.
Description: An article published by Elsevier B.V. and also available at https://doi.org/10.1016/j.rinp.2019.02.062
URI: http://hdl.handle.net/123456789/12658
Appears in Collections:College of Science

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