The DOI matches its Crossref record; 35 of the 35 references it cites were found in a registry or an index.
The Optimally Performing Fischer–Tropsch Catalyst
Abstract
Microkinetics simulations are presented based on DFT‐determined elementary reaction steps of the Fischer–Tropsch (FT) reaction. The formation of long‐chain hydrocarbons occurs on stepped Ru surfaces with CH as the inserting monomer, whereas planar Ru only produces methane because of slow CO activation. By varying the metal–carbon and metal–oxygen interaction energy, three reactivity regimes are identified with rates being controlled by CO dissociation, chain‐growth termination, or water removal. Predicted surface coverages are dominated by CO, C, or O, respectively. Optimum FT performance occurs at the interphase of the regimes of limited CO dissociation and chain‐growth termination. Current FT catalysts are suboptimal, as they are limited by CO activation and/or O removal.
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Cites
The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis
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On the Origin of the Cobalt Particle Size Effects in Fischer−Tropsch Catalysis
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Cited by
Microkinetic Modeling: A Tool for Rational Catalyst Design
Motagamwala, A. H., & Dumesic, J. A. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c00394 · Cited by 485
Computational Methods in Heterogeneous Catalysis
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Plasma–catalysis: the known knowns, the known unknowns and the unknown unknowns
Whitehead, J. C. (2016) · Journal of Physics D: Applied Physics · doi:10.1088/0022-3727/49/24/243001 · Cited by 441
First-principles-based multiscale modelling of heterogeneous catalysis
Bruix, A., Margraf, J. T., Andersen, M., & Reuter, K. (2019) · Nature Catalysis · doi:10.1038/s41929-019-0298-3 · Cited by 339
Metadata
- Authors
- Filot, I. A. W., van Santen, R. A., & Hensen, E. J. M.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2014-08-28
- Volume
- 53
- Issue
- 47
- Pages
- 12746-12750
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2134432828
- Cited by
- 326
- References
- 35
- FWCI
- 4.68
- Type
- journal article
- Language
- en
- Open access
- closed
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