Mechanistic Aspects of CO Activation and C–C Bond Formation on the Fe/C- and Fe-Terminated Fe3C(010) Surfaces
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DOI: 10.1021/acscatal.9b04433
Abstract: To understand the reaction mechanisms of iron-based Fischer–Tropsch synthesis in converting synthesis gas into chemicals and hydrocarbons, we computed CO activation and C–C bond formation on the Fe3C(010) phase as an active catalyst systematically and… read more here.
Keywords: bond formation; surface; activation bond; fe3c 010 ... See more keywords