Oxygen nonstoichiometry, crystal and defect structure of the double perovskite GdBaCo 1.8Fe 0.2O 6 - δ / Tsvetkov D.S., Ivanov I.L., Zuev A.Y. // Solid State Ionics. - 2012. - V. 218, l. . - P. 13-17.

ISSN:

01672738

Type:

Article

Abstract:

Crystal structure of the double perovskite GdBaCo 1.8Fe 0.2O 6 - δ was investigated by means of in situ X-ray diffraction at temperatures between 25 and 800°C in air. Pmmm-P4/mmm phase transition was found to occur in GdBaCo 1.8Fe 0.2O 6 - δ at 515°C. The results of oxygen nonstoichiometry, δ, measured as a function of oxygen partial pressure, p O2, in temperature range 700 ≤ T,°C ≤ 1025 by means of thermogravimetric technique are presented for this double perovskite. Partial molar enthalpy and entropy of oxygen in the GdBaCo 1.8Fe 0.2O 6 - δ 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 GdBaCo 1.8Fe 0.2O 6 - δ is equal to 5.0 exactly. The analysis of the defect structure of the double perovskite GdBaCo 1.8Fe 0.2O 6 - δ was carried out using the model based on the simple cubic perovskite GdCoO 3 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 GdBaCo 1.8Fe 0.2O 6 - δ 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. © 2012 Elsevier B.V. All rights reserved.

Author keywords:

Coulometric titration; Defect structure; Double perovskite; Oxygen nonstoichiometry; Partial molar quantities

Index keywords:

Coulometric titration; Defect species; Double perovskites; Gas environment; In-situ; Model-based OPC; Molar quantity; Oxygen content; Oxygen non-stoichiometry; Oxygen partial pressure; Partial molar e

DOI:

10.1016/j.ssi.2012.04.024

Смотреть в Scopus:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84861392542&doi=10.1016%2fj.ssi.2012.04.024&partnerID=40&md5=59de3ab685c4b8e5fa2a93c7eca0b9ae

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Поле	Значение
Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-84861392542&doi=10.1016%2fj.ssi.2012.04.024&partnerID=40&md5=59de3ab685c4b8e5fa2a93c7eca0b9ae
Affiliations	Department of Chemistry, Ural Federal University, Mira str. 19, 620019, Ekaterinburg, Russian Federation
Author Keywords	Coulometric titration; Defect structure; Double perovskite; Oxygen nonstoichiometry; Partial molar quantities
References	Maignan, A., Martin, C., Pelloquin, D., Nguyen, N., Raveau, B., (1999) J. Solid State Chem., 142, p. 247; Burley, J.C., Mitchell, J.F., Short, S., Miller, D., Tang, Y., (2003) J. Solid State Chem., 170, p. 339; Taskin, A.A., Lavrov, A.N., Ando, Y., (2005) Appl. Phys. Lett., 86, p. 091910; Malavasi, L., Diaz-Fernandez, Y., Mozzati, M.C., Ritter, C., (2008) Solid State Commun., 14 (8), p. 87; Kim, J.-H., Manthiram, A., (2008) J. Electrochem. Soc., 155, p. 385; Zhang, K., Ge, L., Ran, R., Shao, Z., Liu, S., (2008) Acta Mater., 56, p. 4876; Kim, J.-H., Prado, F., Manthirama, A., (2008) J. Electrochem. Soc., 155, p. 1023; Tarancón, A., Peña-Martínez, J., Marrero-López, D., Morata, A., Ruiz-Morales, J.C., Núñez, P., (2008) Solid State Ionics, 179, p. 2372; Tai, L.-W., Nasrallah, M.M., Anderson, H.U., Sparlin, D.M., Sehlin, S.R., (1995) Solid State Ionics, 76, p. 259; Tsvetkov, D.S., Sereda, V.V., Zuev, A.Yu., (2010) Solid State Ionics, 180, p. 1620; Tarancón, A., Marrero-López, D., Peña-Martínez, J., Ruiz-Morales, J.C., Núñez, P., (2008) Solid State Ionics, 179, p. 611; Bucher, E., Sitte, W., Caraman, G.B., (2006) Solid State Ionics, 177, p. 3109; Bishop, S.R., Duncan, K.L., Wachsman, E.D., (2009) J. Electrochem. Soc., 156, pp. 1242-B1248; Poulsen, F.W., (2007) Methods and Limitations of Defect Chemistry Modeling, , Thesis for the degree of Doctor Technices, Riso National Laboratory, DTU, Roskilde, Denmark
Correspondence Address	Zuev, A.Y.; Department of Chemistry, Ural Federal University, Mira str. 19, 620019, Ekaterinburg, Russian Federation; email: andrew.zuev@usu.ru
CODEN	SSIOD
Language of Original Document	English
Abbreviated Source Title	Solid State Ionics
Source	Scopus