NaxV2(PO4)3 phase diagram paper published in J. Mater. Chem. A

3 Dec 2021

Ziliang’s paper on constructing the temperature-composition phase diagram of the NaSICON cathode, NaxV2(PO4)3, was published today in Journal of Materials Chemistry A. The study employed density functional theory-based calculations and a cluster expansion-Monte Carlo approach to calculate the phase diagram and importantly discovered two new phases not observed previously, namely Na2V2(PO4)3 and Na3.5V2(PO4)3. The work was led by Prof. Piero Canepa (National University of Singapore), in collaboration with Profs. Anthony K. Cheetham (National University of Singapore and University of California Santa Barbara), Christian Masquelier (Laboratoire de Réactivité et Chimie des Solides Amiens), and Dr. Sai Gautam Gopalakrishnan.

© Sai Gautam Gopalakrishnan - Powered by Jekyll and adapted from, with inputs from PC.