Nanostructures’ study of chemisorptions of O2 molecule on Al (100) surface
Joint Authors
Moghimi, Masoumeh
Baei, Muhammad T.
Source
Journal of Saudi Chemical Society
Issue
Vol. 18, Issue 5 (31 Dec. 2014), pp.469-473, 5 p.
Publisher
Publication Date
2014-12-31
Country of Publication
Saudi Arabia
No. of Pages
5
Main Subjects
Topics
Abstract EN
In this study, oxygen molecule adsorption on the surface of aluminum at various positions (top, bridge, and central sites) was studied, and the binding energies of oxygen species adsorbed on aluminum were calculated using density functional theory (DFT) within the generalized gradient approximation (GGA).
The potential of the adsorption of oxygen on aluminum was examined as a function of both surface coverage and adsorption site.
The relative stabilities of oxygen chemisorptions were independent of both the transition metal surface and surface coverage.
That is, oxygen exhibited insignificant selectivity with respect to positions on the metal surface.
Our data O2 / Al surface chemisorptions revealed that the stables model for oxygen adsorption was that on the top site.
The top site approach is important for the chemisorption processes because the adsorption energy for this model was lower than for the other sites.
The paper presents the results of quantum chemical calculations using density functional theory method for adsorption of O2 molecules on Al (100) surface at cubic structure with LANL2DZ, SDD and 6-31G* basis sets.
We can extract energetic information about the stability of adsorption O2 on aluminum surface and calculation adsorption energy.
American Psychological Association (APA)
Moghimi, Masoumeh& Baei, Muhammad T.. 2014. Nanostructures’ study of chemisorptions of O2 molecule on Al (100) surface. Journal of Saudi Chemical Society،Vol. 18, no. 5, pp.469-473.
https://search.emarefa.net/detail/BIM-412713
Modern Language Association (MLA)
Moghimi, Masoumeh& Baei, Muhammad T.. Nanostructures’ study of chemisorptions of O2 molecule on Al (100) surface. Journal of Saudi Chemical Society Vol. 18, no. 5 (2014), pp.469-473.
https://search.emarefa.net/detail/BIM-412713
American Medical Association (AMA)
Moghimi, Masoumeh& Baei, Muhammad T.. Nanostructures’ study of chemisorptions of O2 molecule on Al (100) surface. Journal of Saudi Chemical Society. 2014. Vol. 18, no. 5, pp.469-473.
https://search.emarefa.net/detail/BIM-412713
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 473
Record ID
BIM-412713