Quantum chemistry of the Fischer–Tropsch reaction catalysed by a stepped ruthenium surface
Ivo A. W. Filot, Rutger A. van Santen, Emiel J. M. Hensen
Abstract
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Ivo A. W. Filot, Rutger A. van Santen, Emiel J. M. Hensen
Abstract
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A comprehensive density functional theory study of the Fischer–Tropsch mechanism on the corrugated Ru(112̄1) surface has been carried out.
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A comprehensive density functional theory study of the Fischer–Tropsch mechanism on the corrugated Ru(112̄1) surface has been carried out.
Key concepts: Fischer–Tropsch process, Ruthenium, Catalysis, Chemistry, Density functional theory, Reaction mechanism, Physical chemistry, Chemical engineering