Point defects diagrams for pure and doped copper oxide Cu{sub 2{+-}{delta}}O in the temperature range of 873-1473 K

• Published in: Journal of solid state chemistry 2012-10, Vol.194
• Main Author: Stoklosa, A.
• Format: Article
• Language: English
• Subjects: COPPER; COPPER OXIDES; DEFECTS; DIAGRAMS; DOPED MATERIALS; ELECTRIC CONDUCTIVITY; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/J.JSSC.2012.05.023

Point defects diagrams for the Cu{sub 2{+-}{delta}}O, both pure and doped with M{sup 2+} metal ions with all the types of defects in the cation sublattice considered are presented in this work. The calculations of the diagrams were performed by a novel method. The calculations were based on the data from the results of the studies of the deviation from stoichiometry and the electrical conductivity in the temperature range of 873-1473 K. The values of {Delta}G{sup o} of the formation of Frenkel-type defects, of copper vacancies, and of interstitial copper atoms were determined and their temperature dependence. It was shown that character of the dependence of the sum of concentrations of electronic defects ([h{sup Bullet }]+b[e Prime ]) on p{sub O{sub 2}} is fully consistent with its dependence of the electrical conductivity. Their mobility ({mu}{sub e}/{mu}{sub h}=b), vary from 1300 to 30. The dope M{sup 2+} increases the concentration of electrons and shifts the minimum of electrical conductivity toward higher oxygen pressures. - Graphical abstract: This work presents point defects diagrams for the Cu{sub 2{+-}{delta}}O, with all the types of defects in the cation sublattice considered. Highlights: Black-Right-Pointing-Pointer The point defects diagrams. Copper oxide Cu{sub 2{+-}{delta}}O, for pure and M{sup 2+} doped. Black-Right-Pointing-Pointer The values of {Delta}G{sup o} of the formation of Frenkel-type defects were determined. Black-Right-Pointing-Pointer The values of {Delta}G{sup o} of the formation QUOTE QUOTE of singly-ionized copper vacancies were determined. Black-Right-Pointing-Pointer The values of {Delta}G{sup o} of the formation of electroneutral copper vacancies were determined. Black-Right-Pointing-Pointer The values of {Delta}G{sup o} of the formation and of interstitial copper atoms were determined.