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- (628b) A Theoretical Comparative Study of Fischer-Tropsch Synthesis on Fe and Co Surfaces
2006 AIChE Annual Meeting
(628b) A Theoretical Comparative Study of Fischer-Tropsch Synthesis on Fe and Co Surfaces
Authors
Rahul P. Nabar - Presenter, University of Wisconsin - Madison
Amit A. Gokhale, BASF
Manos Mavrikakis, University of Wisconsin-Madison
Fischer-Tropsch synthesis represents an industrially important catalytic reaction for the formation of higher hydrocarbons, starting from synthesis gas (CO and H2). A periodic, self-consistent, Density Functional Theory analysis of the elementary steps up to C2 hydrogenation on pure Fe(110), subsurface-carbon modified Fe(110), and Pt-modified Fe(110) surfaces will be presented and contrasted to the corresponding elementary steps on Cobalt surfaces.