Lattice Defects and Oxygen Absorption/Migration in Ceria/Ceria-Zirconia Solid Solutions: Analysis by Semiempirical Interacting Bonds Method Научная публикация
Журнал |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Вых. Данные | Год: 2002, Том: 76, Номер: 1, Страницы: 103-110 Страниц : 8 DOI: 10.1023/A:1015621613212 | ||||||
Ключевые слова | Ceria, Ceria-zirconia solid solutions, Heats of bulk reduction, Semiempirical calculations, Structure of complex defects | ||||||
Авторы |
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Организации |
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Информация о финансировании (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 |
Реферат:
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.
Библиографическая ссылка:
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
Даты:
Поступила в редакцию: | 7 февр. 2002 г. |
Принята к публикации: | 20 февр. 2002 г. |
Опубликована в печати: | 1 мая 2002 г. |
Идентификаторы БД:
Web of science | WOS:000176049900013 |
Scopus | 2-s2.0-0036015859 |
РИНЦ | 13401577 |
Chemical Abstracts | 2002:479137 |
Chemical Abstracts (print) | 137:24758 |
OpenAlex | W185540818 |