Adsorption of formaldehyde and formyl intermediates on Pt, PtRu-, and PtRuMo-alloy surfaces: A density functional study

► We have studied the binding configuration of formaldehyde and formyl adsorption on Pt-, PtRu and PtRuMo surfaces. ► Different adsorption type of formaldehyde and formyl on Pt and on Pt-alloy surfaces were observed. ► The interaction strength of both formaldehyde and formyl with the surface is following this order PtRuMo > PtRu > Pt. ► Ru and Mo have fewer filled d-orbital; alloying them to Pt surface shifts the d-band higher.