Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes
Author
Source
Advances in Mathematical Physics
Issue
Vol. 2019, Issue 2019 (31 Dec. 2019), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2019-03-03
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
Herein, the encapsulation mechanism of nickel atoms into carbon and boron nitride nanotubes is investigated to determine the interaction energies between the nickel atom and a nanotube.
Classical modelling procedures, together with the 6-12 Lennard-Jones potential function and the hybrid discrete-continuous approach, are used to calculate the interaction of a nickel atoms with (i,i) armchair and (i,0) zigzag single-walled nanotubes.
Analytical expressions for the interaction energies are obtained to determine the optimal radii of the tubes to enclose the nickel atom by determining the radii that give the minimum interaction energies.
We first investigate the suction energy of the nickel atom entering the nanotube.
The atom is assumed to be placed on the axis and near an open end of a semi-infinite, single-walled nanotube.
Moreover, the equilibrium offset positions of the nickel atoms are found with reference to the cross-section of the nanotubes.
The results may further the understanding of the encapsulation of Ni atoms inside defective nanotubes.
Furthermore, the results may also aid in the design of nanotube-based materials and increase the understanding of their nanomagnetic applications and potential uses in other areas of nanotechnology.
American Psychological Association (APA)
Alshehri, Mansoor H.. 2019. Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes. Advances in Mathematical Physics،Vol. 2019, no. 2019, pp.1-7.
https://search.emarefa.net/detail/BIM-1119043
Modern Language Association (MLA)
Alshehri, Mansoor H.. Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes. Advances in Mathematical Physics No. 2019 (2019), pp.1-7.
https://search.emarefa.net/detail/BIM-1119043
American Medical Association (AMA)
Alshehri, Mansoor H.. Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes. Advances in Mathematical Physics. 2019. Vol. 2019, no. 2019, pp.1-7.
https://search.emarefa.net/detail/BIM-1119043
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1119043