NaSiCON phase behavior paper published in Chem. Mater.

28 Aug 2020

Zeyu (Jerry) Deng's paper on mapping the phase behavior of rhombohedral Na1+xZr2SixP3-x, a NaSiCON solid electrolyte for Na batteries, was published today in Chemistry of Materials. The study employed the cluster expansion-monte carlo framework, based on density functional theory calculations, to estimate the temperature-composition phase diagram of NaSiCON. 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) and Christian Masquelier (Laboratoire de Réactivité et Chimie des Solides Amiens).


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