|
KNUSTSpace >
Research Articles >
College of Science >
Please use this identifier to cite or link to this item:
http://hdl.handle.net/123456789/13553
|
Title: | A comparative study of the interaction of nickel, titanium, palladium, and gold metals with single-walled carbon nanotubes: A DFT approach |
Authors: | Kayang, K.W. Nyankson, E. Efavi, J.K. Apalangya, V.A. Adetunji, B.I. Gebreyesus, G. Tia, R. Abavare, E.K.K. Onwona-Agyeman, B. Yaya, A. |
Keywords: | Carbon nanotubes Density Functional Theory Transition metals Fermi energy level |
Issue Date: | 2019 |
Publisher: | Elsevier |
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 carbon
nanotubes studied were found to increase during interactions with the transition metal atoms. Amongst the four
metals, gold atom was found to have an enhanced interaction with the nanotubes transforming from semiconducting
to a conducting tube. Titanium was also found to show similar characteristics to gold only when the
atom was placed in the middle of the carbon nanotubes. Nickel and palladium atoms interactions did not affect
much the electronic properties of the carbon nanotubes, with some slight changes in the electronic properties at
some specific sites of the nanotubes. It is proposed from this study that, the carbon nanotube-metal interactions
could be used as a guide to shed light on the electronic properties of such materials which could become promising
engineering materials and revolutionize the electronic industry. |
Description: | This article is published in Elsevier and also available at ttps://
doi.org/10.1016/j.rinp.2019.02.062 |
URI: | http://hdl.handle.net/123456789/13553 |
ISSN: | 10.1016/j.rinp.2019.02.062 |
Appears in Collections: | College of Science
|
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
|