THE STRUCTURE EFFECT OF AU AND PT CLUSTERS ON THE VIBRATIONAL SPECTRA OF ADSORBED METHANE MOLECULES

Author Institution: Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901; }; ategory {6,1The adsorption of CH$_4$ molecules on different Au and Pt clusters was investigated using density functional theory calculations. The results show that the vibrational spectra of CH$_4$ depend strongly on the adsorption site and orientation of CH$_4$ as well as the structure of Au and Pt isomers. Our results also indicate a possible increase of the peak temperature with cluster size and the broadening of the spectra that could be observed in the temperature-programmed desorption experiment