Strategies of alloying effect for regulating Pt-based H2-SCR catalytic activity†
Alloying Pt with 3d transition metals results in the d-band center moving away from the Fermi level, creating compressive strain. The adsorption strength of the reactants should not be too strong or too weak. The presence of compressive strain, which can increase the orbital overlap between *H and *O, results in the reduction of energy barriers of H-assisted N–O bond activation in terms of the Langmuir–Hinshelwood (L–H) reaction route. Our findings provide guidelines to design more efficient H2-SCR catalysts.