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We study the binding pattern of the amino acid alanine on the naturallychiral Pt surfaces Pt(531), Pt(321) and Pt(643). These surfaces are all vicinalto the {111} direction but have different local environments of their kinksites and are thus a model for realistic roughened Pt surfaces. Alanine hasonly a single methyl group attached to its chiral center, which makes thenumber of possible binding conformations computationally tractable.Additionally, only the amine and carboxyl group are expected to interactstrongly with the Pt substrate. On Pt(531) we study the molecule in itspristine as well as its deprotonated form and find that the deprotonated one ismore stable by 0.39 eV. Therefore, we study the molecule in its deprotonatedform on Pt(321) and Pt(643). As expected, the oxygen and nitrogen atoms of thedeprotonated molecule provide a local binding "tripod" and the most stableadsorption configurations optimize the interaction of this "tripod" withundercoordinated surface atoms. However, the interaction of the methyl groupplays an important role: it induces significant chiral selectivity of about 60meV on all surfaces. Hereby, the L-enantiomer adsorbs preferentially to thePt(321)$^S$ and Pt(643)$^S$ surfaces while the D-enantiomer is more stable onPt(531)$^S$. The binding energies increase with increasing surface density ofkink sites, i.e. they are largest for Pt(531)$^S$ and smallest for Pt(643)$^S$.

Chiral selectivity of amino acid adsorption on chiral surfaces - the case of alanine on Pt