The Chemisorption of Hydrogen on the Supported Catalysts Pt/ZnO

The Einstein-Schrieffer's one-electron chemisorption theory and Green's function method are used to investigate the chemisorption energy of hydrogen on the supported catalysts Pt/ZnO within the framework of the one-dimensional tight-binding apporximation. The results show that (1) in the absence of impurity atoms, the chemisorption energy decreases with increasing the thickness N_Pt of Pt film and gradually approaches -2.470eV, which is the chemisorption energy of hydrogen on bulk Pt, and the threshold point is reached when N_Pt=5. (2) the located sites and species of impurity atoms have an important effect on the chemisorption energy, and (3) the activity of the catalysts is related to the interaction between supports and metal.