DFT study on surface properties and dissolution trends of Al(1Â 0Â 0) surfaces doped with Zn, Ga, In, Sn and Pb

▶ The nature of the impurity atom species and the monolayer coverage have effect on the surface energy of Me-Al(1 0 0) surfaces. ▶ The work function decreases almost linearly with the monolayer coverage of solute elements Me. ▶ With increasing Me coverage, the stability of Al atoms in Me-Al(1 0 0) surfaces are weakened. ▶ A negative electrode potential shift for Me-Al(1 0 0) surfaces compared with pure Al(1 0 0) surfaces.