Defect formation and transport in La0.95Ni0.5Ti0.5O3-δ

S. O. Yakovlev, V. V. Kharton, E. N. Naumovich, J. Zekonyte, V. Zaporojtchenko, A. V. Kovalevsky, A. A. Yaremchenko, J. R. Frade

    Research output: Contribution to journalArticlepeer-review

    Abstract

    Deficiency in the A sublattice of orthorhombic perovskite-type La1−xNi0.5Ti0.5O3−δ, with maximum at x = 0.07–0.08, is compensated by the formation of trivalent nickel and oxygen vacancies. The atomistic computer simulations showed that these defects are trapped near the A-site cation vacancies, resulting in the stabilization of Ni3+ cations and low electronic and oxygen-ionic transport. The average thermal expansion coefficient of La0.95Ni0.5Ti0.5O3−δ ceramics, calculated from dilatometric data in air, increases from 8.6 × 10−6 K−1 at 300–800 K to 12.0 × 10−6 K−1 at 1300–1500 K. The data on Seebeck coefficient and total conductivity, predominantly p-type electronic, suggest a broadband mechanism of hole transport. The activation energies for the hole and ionic conductivities are 89 and 430 kJ/mol, respectively. The oxygen ion transference numbers determined by the faradaic efficiency measurements in air, vary in the range 9.5 × 10−5–8.1 × 10−4 at 1173–1248 K, increasing with temperature. Reducing oxygen partial pressure leads to a moderate decrease of the conductivity, followed by phase decomposition in the p(O2) range 9×10−11 to 8× 10−9 atm at 1073–1223 K. The low-p(O2) stability limit of La0.95Ni0.5Ti0.5O3−δ perovskite was found between that of La3Ni2O7 and Ni/NiO boundary.
    Original languageEnglish
    Pages (from-to)1302-1311
    JournalSolid State Sciences
    Volume8
    Issue number11
    DOIs
    Publication statusPublished - Nov 2006

    Keywords

    • lanthanum
    • nickelate-titanate
    • A-site deficiency
    • defect association
    • oxygen ionic conductivity
    • hole transport
    • atomistic modelling
    • thermal expansion

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