Phase Transition of Na3SbS4 Superionic Conductor and Its Impact on Ion Transport

Abstract: In this work, a comprehensive research coupling experiment and computation has been performed to understand the phase transition of Na3SbS4 and to synthesize cubic Na3SbS4 (c-Na3SbS4), a high temperature phase of Na3SbS4 that is difficult to be preserved from high temperature. The formation of c-Na3SbS4 is verified by Rietveld refinement and electrochemical impedance spectroscopy. Both experiment and theoretical calculation reveal that the ionic conductivity of c-Na3SbS4 is higher than that of t-Na3SbS4, though the values are in the same order of magnitude. Both structures allow fast ion transport.