New insights into Li distribution in the superionic argyrodite Li6PS5Cl

Enyue Zhao; Lunhua He; Zhigang Zhang; Jean-Marie Doux; Darren H S Tan; Erik A Wu; Grayson Deysher; Yu-Ting Chen; Jinkui Zhao; Fangwei Wang; Ying Shirley Meng

doi:10.1039/d1cc03083c

New insights into Li distribution in the superionic argyrodite Li₆PS₅Cl

Chem Commun (Camb). 2021 Oct 14;57(82):10787-10790. doi: 10.1039/d1cc03083c.

Authors

Enyue Zhao^{1

2}, Lunhua He^{2

3}, Zhigang Zhang², Jean-Marie Doux¹, Darren H S Tan¹, Erik A Wu¹, Grayson Deysher⁴, Yu-Ting Chen⁴, Jinkui Zhao², Fangwei Wang^{2

3}, Ying Shirley Meng^{1

4

5}

Affiliations

¹ Department of NanoEngineering, University of California San Diego, La Jolla, CA 92093, USA. shirleymeng@ucsd.edu.
² Songshan Lake Materials Laboratory, Dongguan 523808, P. R. China.
³ Spallation Neutron Source Science Center, Dongguan, 523803, P. R. China.
⁴ Program of Materials Science and Engineering, University of California San Diego, La Jolla, CA 92093, USA.
⁵ Sustainable Power & Energy Center (SPEC), University of California San Diego, La Jolla, CA 92093, USA.

PMID: 34590100
DOI: 10.1039/d1cc03083c

Abstract

By using temperature-dependent neutron powder diffraction combined with maximum entropy method analysis, a previously unreported Li lattice site was discovered in the argyrodite Li₆PS₅Cl solid-state electrolyte. This new finding enables a more complete description of the Li diffusion model in argyrodites, providing structural guidance for designing novel high-conductivity solid-state electrolytes.