Cationic doping of MgO surfaces to build corrosion protection in Mg alloys

► The work present novel insights into the water interaction with MgO surface. ► First-principles calculated role of alloying elements in Mg alloys. ► Results show the positive role of doping role of rare-earth (RE) element. ► Cationic impurities such as Mn4+, Zr4+, and Ce4+ can reduce corrosion rates. ► Water interaction energy shows major contributing factors in MgO stability.