Algerian Journal of Sciences
Volume 0, Numéro 0, Pages 9-20
2024-07-04

A Computational Study Of Ch4 Adsorption On Ru-cu (100) Binary Alloy Surface



Authors : Khettal Habib . Khatir Hiba . Boukelkoul Mebarek . Haroun Mohamed Fahim .

Abstract

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.

Keywords

DFT, Methane adsorption, binary alloy, Ru-Cu(100) surface, catalytic activity.

Les articles similaires

Traduction Des Recettes Diététiques Germano-européennes Comme Transfert Culturel Vers L'afrique Dans Fatburner-die 100 Besten Aldi-rezepte De Wolfgang Elsner/ Translation Of German-european Dietary Recipes As A Cultural Transfer To Africa In Fatburner-die 100 Besten Aldi-rezepte By Wolfgang Elsner

Mbah Jean Bernard . 
pages 182-204.

The Competitive Adsorption Of Basic Yellow 28 And Humic Acids (by28/ha) In Single And Binary Mixtures Onto Hydrophobic Modified Pillared Montmorillonite

Bouras Omar .  Zermane Faiza .  Cheknane Benamar . 
pages 7-14.

Computational Adsorption And Dft Studies On The Corrosion Inhibition Potentials Of Some Phenyl-urea Derivatives

Arthur D. E. . 
pages 559-568.

Surface Characteristics Analysis And Adherence Evaluation Of Hot-dip Galvanized Low Alloy Steel

Darsouni Lamia .  Touhami Mohamed Zine .  Khettache Abdelkader .  Benchiheub Omar . 
pages 177-189.

Traitement Des Effluents Uranifères Par Procédé D’adsorption ‎sur Le Matériau Zéolithe Kltl: Etude Cinétique, ‎thermodynamique Et Isotherme D’adsorption

Khemaissia S .  Benturki A .  Bendjeriou F .  Benyounes H .  Berrached A . 
pages 15-28.

Formats de citation