| A Theoretical Comparative Study of Fischer-Tropsch Synthesis on Fe and Co Surfaces | ||
| Rahul Nabar1, Amit A. Gokhale1 and Manos Mavrikakis2, (1)UW-Madison, 1415 Engineering Dr., Madison, WI 53706, (2)Department of Chemical Engineering, University of Wisconsin - Madison, 1415 Engineering Dr., Madison, WI 53706 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. Extended Abstract Status: Not Uploaded | ||