The strain and stress are important factors for influencing the performances of transition metal surface. The co-adsorption H₂O and OH⁻ on vacancy Al (111) surface under tensile strain conditions was investigated based on the density functional theory. We found that OH⁻ can induce dissociation of H₂O molecules, the dissociation phenomenon only occurs on three special configurations. The lattice distortion of vacancy Al surface is more sensitive to strain than the perfect surface, and the description of vacancy formation energy and surface energy is limited by the strain of each time. Although the strain cannot change the reaction path of H₂O on the dissociated surfaces, it can reduce the energy barrier of the dissociation reaction and induce more stable adsorption of the reactants on the vacancy Al surface, promoting erosion of Al surface.

应变和应力是影响过渡金属表面性能的重要因素。基于密度泛函理论研究了在拉伸应变条件下空位Al（111）表面上的共吸附H ₂ O和OH ^-。我们发现OH ^-可以诱导H ₂ O 分子解离，解离现象仅发生在三种特殊构型上。空位Al表面的晶格畸变对应变比完美表面更敏感，空位形成能和表面能的描述受到每次应变的限制。虽然应变不能改变 H ₂的反应路径O在离解表面上，它可以降低离解反应的能垒，使反应物更稳定地吸附在空位铝表面，促进铝表面的侵蚀。