Abstract
We report a first-principles calculation of impurity effects on adhesion. C, O, B, and S impurities all cause a pronounced decrease in the adhesive energies of the Mo/${\mathrm{MoSi}}_{2}$(001) heterophase interface. S decreases the peak interfacial strength, while C, O, and B increase it. All impurities increase interfacial spacing in proportion to their covalent radii. Impurity mechanisms are identified.
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