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Chemistry of Lewis Acid–Base Pairs on Oxide Surfaces
Abstract
We examine a large number of DFT calculations regarding the chemistry of oxide surfaces and show that their qualitative conclusions can be predicted by using a few rules derived from the Lewis acid–base properties of the species involved. (1) The presence of a Lewis acid on an oxide surface increases substantially the binding energy of a Lewis base. (2) If an oxide has certain properties because it is a Lewis base, these properties can be suppressed by adsorbing a Lewis acid on the surface. (3) The presence of a Lewis base on an oxide surface diminishes the binding energy of another base, as compared to the binding energy on the same surface with no base on it. These rules also hold if the words “acid” and “base” are exchanged. We show that these rules apply to a large number of systems which seem to have no relationship to each other and which are important for catalysis by oxides.
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Cites
A fast and robust algorithm for Bader decomposition of charge density
Henkelman, G., Arnaldsson, A., & Jónsson, H. (2006) · Computational Materials Science · doi:10.1016/j.commatsci.2005.04.010 · Cited by 10,723
Cited by
Catalysis by Supported Single Metal Atoms
Liu, J. (2017) · ACS Catalysis · doi:10.1021/acscatal.6b01534 · Cited by 1,331
Rational design of graphitic carbon based nanostructures for advanced electrocatalysis
Zhang, J., Li, H., Guo, P., Ma, H., & Zhao, X. S. (2016) · Journal of Materials Chemistry A · doi:10.1039/c6ta01657j · Cited by 85
Metadata
- Authors
- Metiu, H., Chrétien, S., Hu, Z., Li, B., & Sun, X.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-04-12
- Volume
- 116
- Issue
- 19
- Pages
- 10439-10450
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2020830441
- Cited by
- 378
- References
- 1
- FWCI
- 8.83
- Type
- journal article
- Language
- en
- Open access
- closed
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- Metiu, H., Chrétien, S., Hu, Z., Li, B., & Sun, X. (2012). Chemistry of Lewis Acid–Base Pairs on Oxide Surfaces. The Journal of Physical Chemistry C. https://doi.org/10.1021/jp301341t
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