Tungsten adsorption on La2O3 (001) surfaces

First principles calculations reveal that the adsorption of W atom on the stoichiometric La2O3 (001) surface is energetically unfavorable with weak cohesion, while the interaction between W adatom and oxygen-rich La2O3 (001) surface should be very strong and thermodynamically stable. Calculations also suggest that the W-O bond should be stronger than the La-O bond, and that the W-O bond, instead of the W-La bond, fundamentally induces the much lower adsorption energy of W adsorption on the oxygen-rich La2O3 (001) surface. In addition, the bond analysis and electronic structures provide a deeper understanding to the adsorption behavior of W on La2O3 surfaces.