Algerian Journal of Sciences
Volume 0, Numéro 0, Pages 9-20
2024-07-04
Authors : Khettal Habib . Khatir Hiba . Boukelkoul Mebarek . Haroun Mohamed Fahim .
The first principle density functional theory calculations (DFT GGA-PW91) have been used to study the activity of Ru-Cu(100) bimetallic surface for methane adsorption. The study involved the possible and the favorite adsorption sites for methane with different adsorbed configurations at a coverage of 0.25 monolayer. The structural parameters of all adsorbed species are presented. As a result, it is found that the Ru atom stabilizes the adsorption of CH4 better than the other surface sites with a weak chemical interaction.
DFT, Methane adsorption, binary alloy, Ru-Cu(100) surface, catalytic activity.
Mbah Jean Bernard
.
pages 182-204.
Bouras Omar
.
Zermane Faiza
.
Cheknane Benamar
.
pages 7-14.
Arthur D. E.
.
pages 559-568.
Darsouni Lamia
.
Touhami Mohamed Zine
.
Khettache Abdelkader
.
Benchiheub Omar
.
pages 177-189.
Khemaissia S
.
Benturki A
.
Bendjeriou F
.
Benyounes H
.
Berrached A
.
pages 15-28.