Abstract
Abstract Density functional theory calculations were employed to investigate the electronic properties of a Pt(111) surface modified with foreign atoms. The effects of alloying platinum with molybdenum, palladium, and tin changed the interaction between adsorbate orbital and metal d band. This letter discusses the interaction between metal atoms and adsorbate and its influence on electronic structure rearrangement of the species—changes that must be taken into account to explain the behavior of catalytic systems and sensors. Mo/Pt(111) and Sn/Pt(111) exhibited lower susceptibility to poisoning by CO, compared with pure platinum. Both Pt-based materials are expected to find utility in electrodes for alcohol and hydrogen oxidation.
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