Local environmental engineering for highly stable single-atom Pt/CeOcatalysts: first-principles insights.

Single-atom Pt/CeOcatalysts may cope with the high cost and durability issues of fuel cell electrocatalysts. In the present study, the stability and underlying interaction mechanisms of the Pt/CeOsystem are systematically investigated using first-principles calculations. The Pt adsorption energy on CeOsurfaces can be divided into chemical interaction and surface deformation parts.