Farid Taherkhani

Effect of CO Adsorption on Silver Based Nanoalloy Structural Study

CO Adsorption on Ag-Pt, Ag-Cu, Ag-Au Bimetallic Nanocluster, Density Functional Theory and Molecular Dynamics Study

• Broschiertes Buch

Produktbeschreibung

Density function theory (DFT) has been used for adsorption of CO molecule on pure silver Ag38 and Ag37Pt compound with truncated octahedron nanostructures. DFT result shows that there is an anisotropic adsorption energy for CO molecule of pure silver TO nanocluster at the surface (100). When CO molecule adsorb on Pt atom, anisotropic adsorption energy of CO molecule increase at the surface(100). Pt as a disordering effect changes adsorption energy site of CO molecule on Ag37Pt TO nanocluster. Molecular dynamics (MD) result shows that self-diffusion of silver after CO molecule adsorption for Pt9Ag29 is more than those for Pt9Cu29, Pt9Au29 bimetallic nanocluster. For silver based bimetallic nano cluster with total 38 atoms, MD result shows that there is no regular trend for self-diffusion of silver atom versus impurity Pt, Au and Cu atom in Ag when CO molecule adsorb on Pt-Ag,Pt-Cu,Pt-Au bimetallic nanocluster.

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Produktdetails

• Verlag: LAP Lambert Academic Publishing
• Seitenzahl: 52
• Erscheinungstermin: 18. September 2017
• Englisch
• Abmessung: 220mm x 150mm x 4mm
• Gewicht: 96g
• ISBN-13: 9783659614873
• ISBN-10: 3659614874
• Artikelnr.: 49450523

Autorenporträt

Dr. Farid Taherkhani obtained his Ph.D. in chemistry from the Sharif University of Technology, Tehran, in 2011. He has worked on nanocluster material at the Istituto per i Processi Chimico-Fisici del CNR, Pisa, Italy. He has written around 40 papers in high ranked international journal and he was referee for 10 high ranked international journals.