Abstract
Accurate transition states and pathways for gaseous C 2H 6 and surface-adsorbed C 2H 5 dehydrogenation on Pt{1 1 0} (1 × 2) have been characterised. The electronic structure is treated within a density functional theory framework, and the transition states are refined using hybrid eigenvector-following with variational eigenvector refinement and tangent space minimisation.
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