The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition
Abstract
Periodic density functional theory calculations are employed to determine the reaction energetics of formic acid decomposition on Ag, Cu, Pd, Pt, and Rh surfaces. We also extend the study to other transition-metal surfaces by scaling the adsorption energies of the reaction species with two independent descriptors: CO and OH adsorption energies. A microkinetic model is then developed to derive the kinetics of formic acid decomposition from the energy parameters. By incorporating the scaling relations in the microkinetic model, the turnover frequencies for formic acid decomposition over the transition-metal surfaces are described as functions of the two descriptors. The variations in catalytic activity and selectivity from one metal surface to another, which are obtained from the first principles analysis, are in qualitative agreement with those obtained experimentally. The interpolation concept of adsorption energy is finally used to conveniently identify potentially interesting alloy catalysts for formic acid decomposition.
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Cites
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
Peterson, A. A., Abild-Pedersen, F., Studt, F., Rossmeisl, J., & Nørskov, J. K. (2010) · Energy & Environmental Science · doi:10.1039/c0ee00071j · Cited by 3,784
Self-citationAbild-Pedersen, F., Greeley, J., Studt, F., Rossmeisl, J., Munter, T. R., Moses, P. G., Skúlason, E., Bligaard, T., & Nørskov, J. K. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.016105 · Cited by 1,678
Self-citationHydrogen storage: the remaining scientific and technological challenges
Felderhoff, M., Weidenthaler, C., von Helmolt, R., & Eberle, U. (2007) · Physical Chemistry Chemical Physics · doi:10.1039/b701563c · Cited by 532
Cited by
Hannagan, R. T., Giannakakis, G., Flytzani-Stephanopoulos, M., & Sykes, E. C. H. (2020) · Chemical Reviews · doi:10.1021/acs.chemrev.0c00078 · Cited by 1,017
Mastering the surface strain of platinum catalysts for efficient electrocatalysis
He, T., Wang, W., Shi, F., Yang, X., Li, X., Wu, J., Yin, Y., & Jin, M. (2021) · Nature · doi:10.1038/s41586-021-03870-z · Cited by 585
Wellendorff, J., Silbaugh, T. L., Garcia-Pintos, D., Nørskov, J. K., Bligaard, T., Studt, F., & Campbell, C. T. (2015) · Surface Science · doi:10.1016/j.susc.2015.03.023 · Cited by 572
Self-citationElectrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies
Yang, Y., Peltier, C. R., Zeng, R., Schimmenti, R., Li, Q., Huang, X., Yan, Z., Potsi, G., Selhorst, R., Lu, X., et al. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00331 · Cited by 544
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
Metadata
- Authors
- Yoo, J. S., Abild-Pedersen, F., Nørskov, J. K., & Studt, F.
- Venue
- ACS Catalysis
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-03-24
- Volume
- 4
- Issue
- 4
- Pages
- 1226-1233
- ISSN
- 2155-5435 (ISSN-L)
- OpenAlex
- W2000189081
- Cited by
- 251
- References
- 3
- FWCI
- 9.83
- Type
- journal article
- Language
- en
- Open access
- closed
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