| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 4757327 | Catalysis Today | 2016 | 8 Pages |
Abstract
- Alloying of stepped Rh(211) surface with Fe atoms investigated.
- CO dissociation as crucial step in syngas conversion studied by DFT.
- CO dissociation barrier lowered when Fe replaces Rh atom with CNÂ =Â 7.
- Electronic structure analyzed by comparing partial density of states.
- Barrier lowered due to increased binding strength of O with the Fe atom in TS.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Ivo A.W. Filot, Farid Fariduddin, Robin J.P. Broos, Bart Zijlstra, Emiel J.M. Hensen,