Pseudomorphic catalytic systems can exhibit enhanced or inhibited activity relative to the
pure surface parent metal, based on a combination of strain and ligand effects. In contrast,
mechanically strained and dealloyed systems can exhibit pure strain effects. Density
functional calculations for hydrogen adsorption at different coverages between 0.25 and 1
monolayer on biaxially strained Pd (111) are carried out to illustrate its differing catalytic
behavior for the hydrogen evolution reaction (HER) in comparison to selected …