First-principles study of boron, carbon and nitrogen adsorption on WC(1Â 0Â 0) surface

► B, C and N atoms can form chemical adsorptions on WC(1 0 0) surface. ► The most stable adsorption occurs at hollow site. ► At the same adsorption site, the adsorption of N atom is the strongest. ► B, C and N adatoms on WC(1 0 0) surface mainly interact with the surface W atoms.