Martin, P., Parker, S.C., Sayle, D.C., Watson, G.W. (2007) Atomistic modeling of multilayered ceria nanotubes. Nano Letters, 7 (3). pp. 543-546. ISSN 15306984 (ISSN). (doi:10.1021/nl0626737) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:46791)
| The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. | |
| Official URL: http://www.scopus.com/inward/record.url?eid=2-s2.0... |
Abstract
Ceria has become a very important material for catalytic applications. Many applications take advantage of its high oxygen storage capacity (OSC). We propose a new polycrystalline multilayered nanotube structure that could go some way to further unlocking the oxygen storage capabilities of the material. We illustrate how our simulation models are constructed and further investigate the potential reactivity of the new structure, by comparing predictions of vacancy cluster segregation behavior to that predicted for the most stable flat {111} surface. © 2007 American Chemical Society.
| Item Type: | Article |
|---|---|
| DOI/Identification number: | 10.1021/nl0626737 |
| Additional information: | Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Nano Lett. [Field not mapped to EPrints] AD - Department of Chemistry, University of Bath, Claverton Down, Bath, Avon, United Kingdom [Field not mapped to EPrints] AD - DMAS, Cranfield University, Shrivenham, Swindon, United Kingdom [Field not mapped to EPrints] AD - School of Chemistry, Trinity College, Dublin 2, Ireland [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints] |
| Uncontrolled keywords: | Cerium compounds, Computer simulation, Mathematical models, Molecular dynamics, Multilayer films, Polycrystalline materials, Atomistic modeling, Polycrystalline multilayered nanotubes, Potential reactivity, Vacancy cluster segregation, Nanotubes |
| Subjects: | Q Science |
| Divisions: | Divisions > Division of Natural Sciences > Physics and Astronomy |
| Depositing User: | Dean Sayle |
| Date Deposited: | 27 Jan 2015 16:50 UTC |
| Last Modified: | 16 Nov 2021 10:18 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/46791 (The current URI for this page, for reference purposes) |
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