Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory.

Abstract

The adsorption, diffusion, and dissociation of pyridine, C5H5N, on Pt(111) are investigated with van der Waals-corrected density functional theory. An elaborate search for local minima in the adsorption potential energy landscape reveals that the intact pyridine adsorbs with the aromatic ring parallel to the surface. Piecewise interconnections of the local… (More)
DOI: 10.1063/1.4947225

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