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Nanostructures with nonprecious metal cores and Pt ultrathin shells are recognized as promising catalysts for oxygen reduction reaction (ORR) to enhance Pt efficiency through core/shell interfacial strain and ligand effects. However, core/shell interaction within a real catalyst is complex and due to the presence of various interfaces in all three dimensions is often oversimply interpreted. Using Co₂P/Pt core/shell structure as a model catalyst, we demonstrate, through density functional theory (DFT) calculations that forming Co₂P(001)/Pt(111) interface can greatly improve Pt energetics for ORR, while Co₂P(010)/Pt(111) is highly detrimental to ORR catalysis. We develop a seed-mediated approach to core/shell Co₂P/Pt nanorods (NRs) within which Co₂P(001)/Pt(111) interface is selectively expressed over the side facets and the undesired Co₂P(010)/Pt(111) interface is minimized. The resultant Co₂P/Pt NRs are …