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Published (Version of Record)CC BY V4.0, Open Access
Journal article
An insight into geometries and catalytic applications of CeO2 from a DFT outlook
Molecules, Vol.26(21), Article 6485
2021
Abstract
Rare earth metal oxides (REMOs) have gained considerable attention in recent years owing to their distinctive properties and potential applications in electronic devices and catalysts. Particularly, cerium dioxide (CeO2), also known as ceria, has emerged as an interesting material in a wide variety of industrial, technological, and medical applications. Ceria can be synthesized with various morphologies, including rods, cubes, wires, tubes, and spheres. This comprehensive review offers valuable perceptions into the crystal structure, fundamental properties, and reaction mechanisms that govern the well-established surface-assisted reactions over ceria. The activity, selectivity, and stability of ceria, either as a stand-alone catalyst or as supports for other metals, are frequently ascribed to its strong interactions with the adsorbates and its facile redox cycle. Doping of ceria with transition metals is a common strategy to modify the characteristics and to fine-tune its reactive properties. DFT-derived chemical mechanisms are surveyed and presented in light of pertinent experimental findings. Finally, the effect of surface termination on catalysis by ceria is also highlighted.
Details
- Title
- An insight into geometries and catalytic applications of CeO2 from a DFT outlook
- Authors/Creators
- H.A. Miran (Author/Creator) - University of BaghdadZ.N. Jaf (Author/Creator) - University of BaghdadM. Altarawneh (Author/Creator) - United Arab Emirates UniversityZ.-T. Jiang (Author/Creator) - Murdoch University
- Publication Details
- Molecules, Vol.26(21), Article 6485
- Publisher
- MDPI
- Identifiers
- 991005540247707891
- Copyright
- © 2021 by the authors
- Murdoch Affiliation
- College of Science, Health, Engineering and Education
- Language
- English
- Resource Type
- Journal article
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- Collaboration types
- Domestic collaboration
- International collaboration
- Citation topics
- 2 Chemistry
- 2.41 Catalysts
- 2.41.25 Catalytic Oxidation
- Web Of Science research areas
- Biochemistry & Molecular Biology
- Chemistry, Multidisciplinary
- ESI research areas
- Chemistry