Adsorption Sites of Hydrogen Atom on Pure and Mg-Doped Multi-Walled Carbon Nanotubes
Joint Authors
Shalaan, E.
Al-Hazmi, F. S.
Faidah, Adel S.
Al-Heniti, S.
al-Ghamdi, Ahmad A.
Husain, M.
Source
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-08-27
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Abstract EN
Hydrogen adsorption sites on pure multiwalled carbon nanotube (MWCNT) and Mg-doped MWCNTs material system have been investigated using molecular dynamics (MD) simulations as well as quantum chemical calculations.
Through combining MWCNTs with Mg, the hydrogen adsorption sites energy on this Mg-MWCNTs system is found to be larger than that of the pure MWCNTs.
Additionally, it was found that, through Mg-doping, new adsorption sites for hydrogen molecules are created in comparison with undoped nanotubes.
It is also found that H atom is preferably adsorbed at every place near magnesium atom.
American Psychological Association (APA)
al-Ghamdi, Ahmad A.& Shalaan, E.& Al-Hazmi, F. S.& Faidah, Adel S.& Al-Heniti, S.& Husain, M.. 2012. Adsorption Sites of Hydrogen Atom on Pure and Mg-Doped Multi-Walled Carbon Nanotubes. Journal of Nanomaterials،Vol. 2012, no. 2012, pp.1-5.
https://search.emarefa.net/detail/BIM-1029228
Modern Language Association (MLA)
al-Ghamdi, Ahmad A.…[et al.]. Adsorption Sites of Hydrogen Atom on Pure and Mg-Doped Multi-Walled Carbon Nanotubes. Journal of Nanomaterials No. 2012 (2012), pp.1-5.
https://search.emarefa.net/detail/BIM-1029228
American Medical Association (AMA)
al-Ghamdi, Ahmad A.& Shalaan, E.& Al-Hazmi, F. S.& Faidah, Adel S.& Al-Heniti, S.& Husain, M.. Adsorption Sites of Hydrogen Atom on Pure and Mg-Doped Multi-Walled Carbon Nanotubes. Journal of Nanomaterials. 2012. Vol. 2012, no. 2012, pp.1-5.
https://search.emarefa.net/detail/BIM-1029228
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1029228
