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Reactivity descriptors for ceria in catalysis

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Teschner,  Detre
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Citation

Capdevila-Cortada, M., Vilé, G., Teschner, D., Pérez-Ramírez, J., & López, N. (2016). Reactivity descriptors for ceria in catalysis. Applied Catalysis B, 197, 299-312. doi:10.1016/j.apcatb.2016.02.035.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002A-1221-4
Abstract
Ceria has been very successfully employed in oxidation catalysis, whereas its application in other reactions has been less intensively investigated. The catalytic activity of ceria can be further enhanced by the use of dopants, and it exhibits structure sensitivity for numerous processes. The rich chemistry of cerium oxide is gathered and discussed in the present work, where the nature of each step of the most common reactions performed on it is assessed. Chemically intuitive computational and experimental descriptors, namely acid-base, redox, and structural features, are put forward to correlate the observed trends among the different doped and undoped facets. We have attempted to generate a robust framework that maps the chemically sound descriptors to the experimental fingerprints and theoretically calculated parameters.