Abstract
The interactions of carbon monoxide and hydrogen during their individual and mixed adsorption on Fe(lOO) surface has been studied through Extended Huckel Molecular Orbital (EHMO) calculations. Based on the results, a two-carbon complex representing the adsorption of carbon monoxide over partially hydrogenated carbon is proposed as the catalytic precursor in the chain-growth process of the Fischer-Tropsch (FT) synthesis.
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