Decomposition pathways of methanol on the PtAu(111) bimetallic surface: A first-principles study

Systematic density functional studies revealed that PtAu(111) significantly alters the reaction kinetics of methanol oxidation from that on Pt(111). PtAu(111) facilitates the reaction path that starts from cleavage of the OH bond. Furthermore, it prevents CH(2)O from immediate decomposition as on the clean Pt(111) surface. This indicates that proper arrangement of Au and Pt sites offers great opportunities for non-CO(ad) paths for high H productivity in fuel cells.