Effect of CO Adsorption on Silver Based Nanoalloy Structu...
Taherkhani, Farid
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 en...