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本文用LEPS势能函数描述了氧与银-金合金(110)面的相互作用。计算了不同金配比时氧在合金(110)面上吸附的势能面,讨论了不同金配比对势能面的影响,以及对氧吸附的影响。
In this paper, the interaction of oxygen with silver-gold alloy (110) surface is described by LEPS potential energy function. The potential energy surface of oxygen adsorbed on alloy (110) surface was calculated at different gold ratios. The effects of different gold ratios on potential energy surface and the effect on oxygen adsorption were discussed.