Synthesis, structural characterization and ionic conductivity of NASICON-type Bax/2Li1-xTi2(PO4)3 (0.4 ≤ x ≤ 1) materials

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Abstract

The NASICON series, with formula Bax/2Li1-xTi2(PO4)3 (0.4 ≤ x ≤ 1), has been prepared by solid-state reaction and characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman, nuclear magnetic resonance (NMR) and impedance spectroscopy (IS). XRD patterns of samples indicated the formation of single phases with rhombohedral structure (space group R-3c). The Rietveld analysis of XRD patterns was performed to deduce location of Li and Ba ions. FTIR, Raman, and NMR techniques showed the only presence of isolated PO4 groups in analyzed phosphates. 31P MAS-NMR spectra were used to investigate Li and Ba distribution and 7Li MAS-NMR spectra to discriminated Li ions with different mobility in conduction paths. A maximum total conductivity of 2.5 × 10−7 S cm−1 and a minimum activation energy of 0.47 eV were obtained at room temperature for Ba0.3Li0.4Ti2(PO4)3 (x = 0.6).