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Analysis and application of the theories that rationalize the crystalline structures of fluorite-related rare earth oxides

Paper ID Volume ID Publish Year Pages File Format Full-Text
55602 47058 2012 6 PDF Available
Title
Analysis and application of the theories that rationalize the crystalline structures of fluorite-related rare earth oxides
Abstract

The main current theories dealing with the crystalline structures of the fluorite related rare earth oxides, including those corresponding to reduced oxides, one based on the distribution of the coordination defect inside the fluorite structure, and the other which proposes the establishment of modular sequences constituted by modules with fluorite structure, are presented and comparatively explored in detail. Our in-depth analysis of both approximations indicates that they in fact provide smart and efficient rationalizations of the currently known intermediate rare earth oxides structures. We prove however that the strict application of the principles and rules proposed by each theory does not yield unique and unambiguous results for most of the members of the homologous series, as it has been claimed up to now. Moreover, the controversy about the reliability of these two, apparently different and competing, theories is definitely clarified and the exact equivalence of their structural predictions is demonstrated. Finally, we propose new extra systematization rules, not considered up to now in neither of these theoretical approaches, to overcome the observed limitations to properly rationalize the structure of this so technologically important family of oxides.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (313 K)Download as PowerPoint slideHighlights► Coordination Defect Theory and Modular Sequence Theory achieve the same results. ► New rules are needed to elucidate structures of the homologous series rare earth oxides. ► In rare earth reduced oxides oxygen vacancies separate each others to maximize the distances between them. ► If oxygen vacancies are at the shortest distance, they share a metal atom.

Keywords
Oxides with fluorite structure; Lanthanide oxides; Coordination defect; Modular sequence
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Analysis and application of the theories that rationalize the crystalline structures of fluorite-related rare earth oxides
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Today - Volume 180, Issue 1, 17 January 2012, Pages 161–166
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us