In Search of Initial Predictors of Fischer–Tropsch Catalytic Activity


All Fischer-Tropsch mechanisms known to date begin with the adsorption of carbon monoxide followed by its dissociation on a given catalysts surface. Understanding how those catalysts modify reactivity descriptors such as CO adsorption and dissociation energies is a key for nanoengineering materials for this type of applications. Cluster models of Co, Fe, Ni… (More)


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