Oxygen nonstoichiometry, crystal and defect structure of the double perovskite GdBaCo1.8Fe0.2O6-delta / Tsvetkov D. S.,Ivanov I. L.,Zuev A. Yu. // SOLID STATE IONICS. - 2012. - V. 218, l. . - P. 13-17.

ISSN/EISSN:

0167-2738 / 1872-7689

Type:

Article

Abstract:

Crystal structure of the double perovskite GdBaCo1.8Fe0.2O6-delta was investigated by means of ``in situ{''} X-ray diffraction at temperatures between 25 and 800 degrees C in air. Pmmm-P4/mmm phase transition was found to occur in GdBaCo1.8Fe0.2O6-delta at 515 degrees C. The results of oxygen nonstoichiometry, delta, measured as a function of oxygen partial pressure, p(O2). in temperature range 700 <= T, degrees C <= 1025 by means of thermogravimetric technique are presented for this double perovskite. Partial molar enthalpy and entropy of oxygen in the GdBaCo1.8Fe0.2O6-delta structure were calculated. Both thermodynamic properties were shown to increase dramatically in the vicinity of the oxygen nonstoichiometry value equal to 1. The p(O2) dependences of oxygen nonstoichiometry were found to have inflections when the oxygen content of GdBaCo1.8Fe0.2O6-delta is equal to 5.0 exactly. The analysis of the defect structure of the double perovskite GdBaCo1.8Fe0.2O6-delta was carried out using the model based on the simple cubic perovskite GdCoO3 as a reference state. Equilibrium constants of the appropriate defects reactions were, therefore, determined. As a consequence, concentrations of all defect species defined within the framework of the model proposed were calculated as functions of temperature and oxygen nonstoichiometry. Oxygen vacancies were shown to be formed during p(O2) diminution in gas environment in the layers of GdBaCo1.8Fe0.2O6-delta crystal lattice where they are ordered until oxygen nonstoichiometry of the oxide becomes equal to unity afterwards oxygen vacancies are formed randomly in oxygen polyhedrons. (C) 2012 Elsevier B.V. All rights reserved.

Author keywords:

Oxygen nonstoichiometry; Double perovskite; Defect structure; Partial molar quantities; Coulometric titration OXIDE FUEL-CELLS; GDBACO2O5+X LAYERED PEROVSKITE; ELECTRICAL-PROPERTIES; CATHODES; LNBACO(2)O(5+DELTA); EQUILIBRIA

DOI:

10.1016/j.ssi.2012.04.024

Web of Science ID:

ISI:000306824000003

Соавторы в МНС:

Другие поля

Поле	Значение
Month	JUN 22
Publisher	ELSEVIER SCIENCE BV
Address	PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Language	English
EISSN	1872-7689
Keywords-Plus	OXIDE FUEL-CELLS; GDBACO2O5+X LAYERED PEROVSKITE; ELECTRICAL-PROPERTIES; CATHODES; LNBACO(2)O(5+DELTA); EQUILIBRIA
Research-Areas	Chemistry; Physics
Web-of-Science-Categories	Chemistry, Physical; Physics, Condensed Matter
Author-Email	andrew.zuev@usu.ru
ResearcherID-Numbers	Zuev, Andrey/E-6220-2014 Albe, Karsten/F-1139-2011 Tsvetkov, Dmitry/N-2491-2016 Ivanov, Ivan/E-7879-2017
ORCID-Numbers	Ivanov, Ivan/0000-0001-9277-7543
Funding-Acknowledgement	Ministry of Education and Science of the Russian Federation
Funding-Text	This work was supported by the Ministry of Education and Science of the Russian Federation within the framework of Federal Program ``Investigations and researches on the priority directions of development for the scientific and technological complex of Russia in 2007-2013{''}.
Number-of-Cited-References	12
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	32
Journal-ISO	Solid State Ion.
Doc-Delivery-Number	979ML