Ahmet T Alpas

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First principles calculations based on spin-polarized density functional theory were used to identify metallic adatoms that would strengthen the Pt(111)/graphene interface (with a low work of separation of 0.009 J m(-2)), when the adatom was placed between the Pt(111) and the graphene. It was shown that the strength of the Pt-adatom bond, which had a(More)
Oxidation can drastically change mechanical properties of nanostructures that typically have large surface-to-volume ratios. However, the underlying mechanisms describing the effect oxidation has on the mechanical properties of nanostructures have yet to be characterized. Here we use reactive molecular dynamics and show that the oxidation enhances the(More)
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