Journal article
Discovery of technical methanation catalysts based on computational screening
Haldor Topsoe AS1
Centre for Catalysis and Sustainable Chemistry, Department of Chemistry, Technical University of Denmark2
Department of Chemistry, Technical University of Denmark3
Sustainable and Green Chemistry, Department of Chemistry, Technical University of Denmark4
The Aerosol Laboratory, Department of Chemical and Biochemical Engineering, Technical University of Denmark5
Department of Chemical and Biochemical Engineering, Technical University of Denmark6
Computational Atomic-scale Materials Design, Department of Physics, Technical University of Denmark7
Department of Physics, Technical University of Denmark8
Center for Nanoteknologi, Centers, Technical University of Denmark9
Methanation is a classical reaction in heterogeneous catalysis and significant effort has been put into improving the industrially preferred nickel-based catalysts. Recently, a computational screening study showed that nickel-iron alloys should be more active than the pure nickel catalyst and at the same time less expensive.
This was previously verified experimentally for pure CO hydrogenation. In this study, the improved activity is also verified for CO2 hydrogenation as well as for simultaneous CO and CO2 hydrogenation.
| Language: | English |
|---|---|
| Publisher: | Springer-Verlag |
| Year: | 2007 |
| Pages: | 9-13 |
| ISSN: | 15729028 and 10225528 |
| Types: | Journal article |
| DOI: | 10.1007/s11244-007-0232-9 |
| ORCIDs: | Bligaard, Thomas , Andersson, Martin and Nørskov, Jens Kehlet |
