Interface paper published in J. Mater. Chem. A

8 Jun 2022

Juefan’s paper on understanding the stability and transport properties of interfaces formed via decomposition of common solid electrolytes against Li metal, was published today in Journal of Materials Chemistry A. The study employed density functional theory calculations and ab initio molecular dynamics simulations and trained a machine learned interatomic potential (specifically, moment tensor potentials) to perform longer timescale simulations on larger interfacial models. Importantly, the study found certain decomposition products (e.g., Li2S) to be highly resistant to Li motion across the interface, while phases such as Li3P faciliate Li-transport. The work was led by Prof. Piero Canepa (National University of Singapore), in collaboration with Prof. Sai Gautam Gopalakrishnan.

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