Effects of Surface Relaxation on Enantiospecific Adsorption on Naturally Chiral Pt Surfaces |
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Authors: | Power Timothy D. Sholl David S. |
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Affiliation: | (1) Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, USA |
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Abstract: | Many high Miller index metals surfaces are naturally chiral, offering opportunities for performing enantiospecific chemistry. Previous theoretical treatments of adsorption on these surfaces have used surfaces truncated from bulk crystals. This paper examines the effect of surface relaxation on enantiospecific adsorption on chiral Pt surfaces by using relaxed surface structures determined using density functional theory. |
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Keywords: | chiral surface relaxation enantioselective enantiospecific |
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