On August 27 2020 Dr. Zeyu (Jerry) Deng published his research work on NaSICON electrolytes and electrodes in Chemsitry of Materials. The title of the manuscript is Phase Behavior in Rhombohedral NaSiCON Electrolytes and Electrodes Check this out here!
Using a repertoire of techniques the care team analyzed the thermodynamic properties of the rhombohedral NaSiCON electrolyte by constructing the Na1+xZr2SixP3-xO12 phase diagram, based on density functional theory calculations, a cluster expansion framework, and Monte Carlo simulations.
Through the computed phase diagram, the care team identified the concentration domains providing the highest Na+-ion conductivity and
previously unreported phase-separation behavior across three different single-phase regions. Furthermore, similarities in
the phase behavior between Na1+xZr2SixP3-xO12 and other NaSiCON-based monotransition metal electrodes were noted. Our work is an important
addition in understanding the thermodynamics of NaSiCON-based materials and in the development of inexpensive Na-ion batteries.
This research was funded by the Singapore National Research Foundation (NRF) under the NRF Fellowship Scheme and the ANR-NRF grant in colalboration with the LRCS Université de Picardie Jules Verne laboratory.