The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene
Abstract
The removal of trace acetylene from ethylene is performed industrially by palladium hydrogenation catalysts (often modified with silver) that avoid the hydrogenation of ethylene to ethane. In an effort to identify catalysts based on less expensive and more available metals, density functional calculations were performed that identified relations in heats of adsorption of hydrocarbon molecules and fragments on metal surfaces. This analysis not only verified the facility of known catalysts but identified nickel-zinc alloys as alternatives. Experimental studies demonstrated that these alloys dispersed on an oxide support were selective for acetylene hydrogenation at low pressures.
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Cites
Abild-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
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Cited by
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Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. Z. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00470a · Cited by 5,388
Towards the computational design of solid catalysts
Nørskov, J. K., Bligaard, T., Rossmeisl, J., & Christensen, C. H. (2009) · Nature Chemistry · doi:10.1038/nchem.121 · Cited by 4,161
Self-citationThe high-throughput highway to computational materials design
Curtarolo, S., Hart, G. L. W., Nardelli, M. B., Mingo, N., Sanvito, S., & Levy, O. (2013) · Nature Materials · doi:10.1038/nmat3568 · Cited by 2,053
Density functional theory for transition metals and transition metal chemistry
Cramer, C. J., & Truhlar, D. G. (2009) · Physical Chemistry Chemical Physics · doi:10.1039/b907148b · Cited by 1,648
Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors
Zhao, Z.-J., Liu, S., Zha, S., Cheng, D., Studt, F., Henkelman, G., & Gong, J. (2019) · Nature Reviews Materials · doi:10.1038/s41578-019-0152-x · Cited by 657
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Metadata
- Authors
- Studt, F., Abild-Pedersen, F., Bligaard, T., Sørensen, R. Z., Christensen, C. H., & Nørskov, J. K.
- Venue
- Science
- Published
- 2008-06-06
- Volume
- 320
- Issue
- 5881
- Pages
- 1320-1322
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2040837725
- Cited by
- 1,199
- References
- 1
- FWCI
- 19.31
- Type
- journal article
- Language
- en
- Open access
- closed
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- Studt, F., Abild-Pedersen, F., Bligaard, T., Sørensen, R. Z., Christensen, C. H., & Nørskov, J. K. (2008). Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene. Science. https://doi.org/10.1126/science.1156660
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