Autor:	Vladislav A. Sadykov, N. N. Bulgakov, V. V. Lunin, Erhard Kemnitz
Rok vydání:	2002
Předmět:	Zirconium Chemistry Lattice defects Coordination number Oxygen absorption Inorganic chemistry chemistry.chemical_element Cubic zirconia Physical and Theoretical Chemistry Oxygen Catalysis Solid solution
Zdroj:	Reaction Kinetics and Catalysis Letters. 76:103-110
ISSN:	0133-1736
DOI:	10.1023/a:1015621613212
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::af18bb0a5a8d0a3188c186794750883e https://doi.org/10.1023/a:1015621613212 Zobrazit plný text záznamu Full text from SpringerLink