Towards the understanding of poor electrochemical activity of triclinic LiVOPO4: Experimental characterization and theoretical investigations

This work addresses the origin of the poor electrochemical activity of triclinic LiVOPO4. Sample characterization using X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, and magnetic measurements indicated the formation of a pure triclinic phase of LiVOPO4. Diffuse reflectance spectra analysis along with a density functional theory (DFT) calculation showed that triclinic LiVOPO4 is a wide bandgap semiconductor which is confirmed by a very large resistance measured using AC impedance technique. All these experimental characterization and theoretical investigations suggest that the poor electrochemical performance of the triclinic LiVOPO4 is primarily associated with its extremely low intrinsic electronic conductivity.

Graphical abstract The poor electrochemical performance of triclinic LiVOPO4 as cathode for lithium ion batteries may be caused by the very low electronic conductivity of this material at room temperature.Figure optionsDownload full-size imageDownload as PowerPoint slide