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|Title:||Preparation and mobile ion transport studies of Ta and Nb doped Li 6Zr2O7 Li-fast ion conductors||Authors:||Rao, R.P.
|Keywords:||Bond valence approach
Molecular dynamics simulations
|Issue Date:||25-Jan-2012||Citation:||Rao, R.P., Reddy, M.V., Adams, S., Chowdari, B.V.R. (2012-01-25). Preparation and mobile ion transport studies of Ta and Nb doped Li 6Zr2O7 Li-fast ion conductors. Materials Science and Engineering B: Solid-State Materials for Advanced Technology 177 (1) : 100-105. ScholarBank@NUS Repository. https://doi.org/10.1016/j.mseb.2011.09.015||Abstract:||Pure and doped Li6-x(Zr2-xMx)O 7, M = Nb and Ta; x = 0, 0.15 compounds have been prepared by the urea combustion method followed by annealing at 950 °C for 8 h. The samples are characterized by X-ray diffraction and impedance spectroscopy. Ionic conductivities, σionic, were determined in the temperature range of 60-360 °C by impedance spectroscopy. We observe that the Ta doped Li6Zr2O7 has a measurable σ ionic at ∼160 °C, and at 300 °C exhibits a conductivity value of 1 × 10-3 S/cm. The temperature dependence of the conductivity in the range 100-360 °C obeys an Arrhenius relation, yielding an activation energy of Ea = 0.95 eV (for M = Ta and x = 0.15). The bond valence approach has been used to visualise Li+ ion migration pathways and the conductivity mechanism in these compounds. The lowest energy pathway is found to extend along the [0 1 2] direction. The Bond valence analysis also indicates a significantly anisotropic Li-ion conductivity in compounds with Li6Zr2O7 type structure, predicting activation energies of 1.1 and 0.9 eV for the low energy pathway in undoped and doped Li6Zr2O7. © 2011 Elsevier B.V. All rights reserved.||Source Title:||Materials Science and Engineering B: Solid-State Materials for Advanced Technology||URI:||http://scholarbank.nus.edu.sg/handle/10635/86663||ISSN:||09215107||DOI:||10.1016/j.mseb.2011.09.015|
|Appears in Collections:||Staff Publications|
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