A comparative study of the interaction of nickel, titanium, palladium, and gold metals with single-walled carbon nanotubes: A DFT approach
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 transitio...
Main Authors: | K.W. Kayang, E. Nyankson, J.K. Efavi, V.A. Apalangya, B.I. Adetunji, G. Gebreyesus, R. Tia, E.K.K. Abavare, B. Onwona-Agyeman, A. Yaya |
---|---|
Format: | Article |
Language: | English |
Published: |
Elsevier
2019-03-01
|
Series: | Results in Physics |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379718321430 |
Similar Items
-
Single-Walled boron nitride nanotubes interaction with nickel, titanium, palladium, and gold metal atoms- A first-principles study
by: K.W. Kayang, et al.
Published: (2019-09-01) -
A study of polybromide chain formation using carbon nanomaterials via density functional theory approach
by: A. Yaya, et al.
Published: (2016-12-01) -
Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation
by: Suleiman Nafiu, et al.
Published: (2022-01-01) -
DFT/TD-DFT study on spectroscopic properties of zinc(II), nickel(II), and palladium(II) metal complexes with a thiourea derivative
by: Wang Xin, et al.
Published: (2016-01-01) -
Electroplating of thick and ductile palladium-nickel alloys /
by: Straschil, H. K.