Abstract
Vibrational insights into the CO adsorption states on the (2 × 2) surface of the Pt3Sn(111) bulk alloy are reported for the first time by a systematic comparison between high-resolution electron energy loss spectroscopy (HREELS) measurements and density functional theory (DFT) anharmonic frequency calculations. CO adsorbs preferentially in top configuration on Pt atoms. In contrast with Pt(111), CO multifold sites are observed only at low coverage. This difference is interpreted on the basis of the relative stability between top and threefold hollow sites on Pt3Sn(111) compared to Pt(111). The evolution of the CO vibrational bands as a function of temperature shows that CO adsorption is weakened by the presence of tin; this result is confirmed by DFT calculations.
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