Skip to main content

Structural characterization of the CeO2/YSZ(111) catalytic system synthesized using simulated amorphization and recrystallization

Maicaneanu, S.A., Sayle, D.C., Watson, G.W. (2001) Structural characterization of the CeO2/YSZ(111) catalytic system synthesized using simulated amorphization and recrystallization. Journal of Physical Chemistry B, 105 (50). pp. 12481-12489. ISSN 10895647 (ISSN). (doi:10.1021/jp011033j) (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:46818)

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

A "simulated amorphization and recrystallization" technique is employed to explore the structural modifications and epitaxial relationships, which evolve within a CeO2 thin-film when supported on yttrium-stabilized zirconia (YSZ). The epitaxial relationship identified within the CeO2/YSZ(111) system facilitates a reduction in the lattice misfit from ca. 6.1% (bulk misfit) to ca. 1% thereby, in part, stabilizing the system. In addition, edge dislocation networks and defects, including vacancies, substitutions, and interstitials evolve in both the CeO2 and the underlying YSZ to reduce further this residual misfit. Graphical techniques are employed to characterize and present, the epitaxial relationships and atomistic structure of the dislocation networks and defects that evolve within the system. Because experimentation is, at present, unable to explore the structural features that evolve within supported thin films with three-dimensional atomistic resolution, simulation provides an invaluable complement with which to study supported catalysts.

Item Type: Article
DOI/Identification number: 10.1021/jp011033j
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - J Phys Chem B [Field not mapped to EPrints] AD - Department of Environmental and Ordnance Systems, Cranfield University, Royal Military College of Science, Shrivenham, Swindon, SN6 8LA, United Kingdom [Field not mapped to EPrints] AD - Department of Chemistry, Trinity College, Dublin 2, Ireland [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Uncontrolled keywords: Interfacial interactions, Amorphization, Catalysts, Cerium compounds, Computer simulation, Dislocations (crystals), Positive ions, Recrystallization (metallurgy), Surface chemistry, Synthesis (chemical), Yttrium, Zirconia, Thin films
Subjects: Q Science
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Dean Sayle
Date Deposited: 06 Mar 2015 16:40 UTC
Last Modified: 16 Nov 2021 10:19 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46818 (The current URI for this page, for reference purposes)
  • Depositors only (login required):

Total unique views for this document in KAR since July 2020. For more details click on the image.