The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Bond-Making and Breaking between Carbon, Nitrogen, and Oxygen in Electrocatalysis
Abstract
Many catalytic reactions involving small molecules, which are key transformations in sustainable energy and chemistry, involve the making or breaking of a bond between carbon, nitrogen and oxygen. It has been observed that such heterogeneously (electro)catalyzed reactions often exhibit remarkable and unusual structure sensitivity, in the sense that they take place preferentially on catalyst surfaces with a long-ranged two-dimensional (100) atomic structure. Steps and defects in this two-dimensional structure lower the catalytic activity. Such structure sensitivity must be due to the existence of a special active site on these two-dimensional (100) terraces. Employing detailed density functional theory calculations, we report here the identification of this special active site for a variety of catalytic reactions. The calculations also illustrate how this specific site breaks the well-known rule that under-coordinated surface atoms bind adsorbates stronger, thereby providing the atomic-level explanation for the lack of reactivity of steps and defects for the reactions under consideration. The breakdown of such rule results in significant deviations from commonly observed energetic scaling relations between chemisorbates. Thus, this work provides new design rules for the development of thermodynamically efficient catalysts for an important class of bond-making and bond-breaking reactions.
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Cites
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Man, I. C., Su, H., Calle‐Vallejo, F., Hansen, H. A., Martínez, J. I., Inoglu, N. G., Kitchin, J., Jaramillo, T. F., Nørskov, J. K., & Rossmeisl, J. (2011) · ChemCatChem · doi:10.1002/cctc.201000397 · Cited by 4,769
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
Hori, Y., Kikuchi, K., & Suzuki, S. (1985) · Chemistry Letters · doi:10.1246/cl.1985.1695 · Cited by 1,401
Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
Calle‐Vallejo, F., & Koper, M. T. M. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201301470 · Cited by 941
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
Cited by
Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels
Birdja, Y. Y., Pérez-Gallent, E., Figueiredo, M. C., Göttle, A. J., Calle-Vallejo, F., & Koper, M. T. M. (2019) · Nature Energy · doi:10.1038/s41560-019-0450-y · Cited by 2,747
Self-citationSubsurface Oxygen in Oxide-Derived Copper Electrocatalysts for Carbon Dioxide Reduction
Eilert, A., Cavalca, F., Roberts, F. S., Osterwalder, J., Liu, C., Favaro, M., Crumlin, E. J., Ogasawara, H., Friebel, D., Pettersson, L. G. M., et al. (2017) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.6b02273 · Cited by 443
Tomboc, G. M., Choi, S., Kwon, T., Hwang, Y. J., & Lee, K. (2020) · Advanced Materials · doi:10.1002/adma.201908398 · Cited by 325
Gao, W., Chen, Y., Li, B., Liu, S.-P., Liu, X., & Jiang, Q. (2020) · Nature Communications · doi:10.1038/s41467-020-14969-8 · Cited by 322
Electrocatalytic carbon dioxide reduction: from fundamental principles to catalyst design
Zhang, X., Guo, S.-X., Gandionco, K. A., Bond, A. M., & Zhang, J. (2020) · Materials Today Advances · doi:10.1016/j.mtadv.2020.100074 · Cited by 322
Metadata
- Authors
- Li, H., Li, Y., Koper, M. T. M., & Calle-Vallejo, F.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-10-28
- Volume
- 136
- Issue
- 44
- Pages
- 15694-15701
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2332336518
- Cited by
- 224
- References
- 6
- FWCI
- 4.04
- Type
- journal article
- Language
- en
- Open access
- closed
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