When Pt atoms are present on the surface, the activation barrier for the removal of O is reduced when compared to that on an un-promoted cobalt catalyst. The activation barriers and transition states on both flat and stepped Co(0001) surfaces for the removal of oxygen from the cobalt surface with and without the presence of platinum were calculated using the Climbing Image Nudged Elastic Band (CI-NEB) method, and. We investigate the role of the surface platinum promoter in the removal of oxygen from the cobalt surface using density functional theory (DFT) calculations. Removal of oxygen from the cobalt surface is one of the final steps in FTS mechanism. Small amounts of Pt are often added to cobalt to prevent deactivation and improve activity. Cobalt is one of the commonly used catalysts in Fischer–Tropsch Synthesis (FTS).
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June 2023
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