Lattice Defects and Oxygen Absorption/Migration in Ceria/Ceria-Zirconia Solid Solutions: Analysis by Semiempirical Interacting Bonds Method Full article
Journal |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Output data | Year: 2002, Volume: 76, Number: 1, Pages: 103-110 Pages count : 8 DOI: 10.1023/A:1015621613212 | ||||||
Tags | Ceria, Ceria-zirconia solid solutions, Heats of bulk reduction, Semiempirical calculations, Structure of complex defects | ||||||
Authors |
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Affiliations |
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Funding (1)
1 | International Association for the Promotion of Co-operation with Scientists from the New Independent States of the Former Soviet Union | IR-97-402 |
Abstract:
Semiempirical Interacting Bonds Method was used to calculate the enthalpies of oxygen removal from the bulk of ceria and ceria-zirconia solid solutions. The energy of the bulk reduction was obtained to agree reasonably with the experimental data when the complex defect comprised of the oxygen vacancy and interstitial oxygen atom surrounded by six cations was suggested to emerge due to an oxygen removal from the bulk. The zirconium cations dissolved in ceria affect the energies of the bulk reduction and bulk oxygen mobility due to a decrease in the local Me-O coordination number from 8 to 7.
Cite:
Bulgakov N.N.
, Sadykov V.A.
, Lunin V.V.
, Kemnitz E.
Lattice Defects and Oxygen Absorption/Migration in Ceria/Ceria-Zirconia Solid Solutions: Analysis by Semiempirical Interacting Bonds Method
Reaction Kinetics and Catalysis Letters. 2002. V.76. N1. P.103-110. DOI: 10.1023/A:1015621613212 WOS Scopus РИНЦ
Lattice Defects and Oxygen Absorption/Migration in Ceria/Ceria-Zirconia Solid Solutions: Analysis by Semiempirical Interacting Bonds Method
Reaction Kinetics and Catalysis Letters. 2002. V.76. N1. P.103-110. DOI: 10.1023/A:1015621613212 WOS Scopus РИНЦ
Dates:
Submitted: | Feb 7, 2002 |
Accepted: | Feb 20, 2002 |
Published print: | May 1, 2002 |
Identifiers:
Web of science | WOS:000176049900013 |
Scopus | 2-s2.0-0036015859 |
Elibrary | 13401577 |
Chemical Abstracts | 2002:479137 |
Chemical Abstracts (print) | 137:24758 |
OpenAlex | W185540818 |