A bond order conservation-Morse potential model of adsorbate–surface interactions: Dissociation of H2, O2, and F2 on the liquid mercury surface

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Abstract
We present a bond order conservation-Morse potential (BOC-MP) model of adsorbate–surface interactions, having only two adjustable parameters, which is based on the BOC-MP model of Shustorovich. We test this model energy expression by determining how well it can represent the dissociation of H2, O2, and F2 on the close-packed mercury surface. This is done by adjusting the two ‘‘free’’ parameters of our BOC-MP energy expression so that it fits the high quality ab initio surface dissociation energy curves that we have computed for these diatomics. Our BOC-MP energy expression is able to reproduce the ab initio surface dissociation energies quite well.