The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Universal transition state scaling relations for (de)hydrogenation over transition metals
Abstract
We analyse the transition state energies for 249 hydrogenation/dehydrogenation reactions of atoms and simple molecules over close-packed and stepped surfaces and nanoparticles of transition metals using Density Functional Theory. Linear energy scaling relations are observed for the transition state structures leading to transition state scaling relations for all the investigated reactions. With a suitable choice of reference systems the transition state scaling relations form a universality class that can be approximated with one single linear relation describing the entire range of reactions over all types of surfaces and nanoclusters.
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Special points for Brillouin-zone integrations
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Self-citationThe nature of the active site in heterogeneous metal catalysis
Nørskov, J. K., Bligaard, T., Hvolbæk, B., Abild-Pedersen, F., Chorkendorff, I., & Christensen, C. H. (2008) · Chemical Society Reviews · doi:10.1039/b800260f · Cited by 885
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A Review of Electrocatalytic Reduction of Dinitrogen to Ammonia under Ambient Conditions
Cui, X., Tang, C., & Zhang, Q. (2018) · Advanced Energy Materials · doi:10.1002/aenm.201800369 · Cited by 1,314
Understanding trends in electrochemical carbon dioxide reduction rates
Liu, X., Xiao, J., Peng, H., Hong, X., Chan, K., & Nørskov, J. K. (2017) · Nature Communications · doi:10.1038/ncomms15438 · Cited by 804
Self-citationTheory-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
Self-citationApplications of Phosphorene and Black Phosphorus in Energy Conversion and Storage Devices
Pang, J., Bachmatiuk, A., Yin, Y., Trzebicka, B., Zhao, L., Fu, L., Mendes, R. G., Gemming, T., Liu, Z., & Rummeli, M. H. (2018) · Advanced Energy Materials · doi:10.1002/aenm.201702093 · Cited by 518
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Metadata
- Authors
- Wang, S., Petzold, V., Tripkovic, V., Kleis, J., Howalt, J. G., Skúlason, E., Fernández, E. M., Hvolbæk, B., Jones, G., Toftelund, A., Falsig, H., Björketun, M., Studt, F., Abild-Pedersen, F., Rossmeisl, J., Nørskov, J. K., & Bligaard, T.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2011
- Volume
- 13
- Issue
- 46
- Pages
- 20760
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2007740449
- Cited by
- 449
- References
- 3
- FWCI
- 7.75
- Type
- journal article
- Language
- en
- Open access
- closed
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- Wang, S., Petzold, V., Tripkovic, V., Kleis, J., Howalt, J. G., Skúlason, E., Fernández, E. M., Hvolbæk, B., Jones, G., Toftelund, A., Falsig, H., Björketun, M., Studt, F., Abild-Pedersen, F., Rossmeisl, J., Nørskov, J. K., & Bligaard, T. (2011). Universal transition state scaling relations for (de)hydrogenation over transition metals. Physical Chemistry Chemical Physics. https://doi.org/10.1039/c1cp20547a
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