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Synthesis and Li+ ion Migration Studies of Li6PS5X (X = Cl, Br, I)

Published online by Cambridge University Press:  20 September 2011

R. Prasada Rao  and
S. Adams
R. Prasada Rao*
Affiliation:
Department of Materials Science and Engineering, National University of Singapore, Singapore, 117574, Singapore
S. Adams
Affiliation:
Department of Materials Science and Engineering, National University of Singapore, Singapore, 117574, Singapore
*
*E-mail: mserpr@nus.edu.sg
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Abstract

Lithium ion conducting argyrodite-type Li6PS5X (X = Cl, Br, I) compounds were prepared using mechanical milling followed by annealing. XRD characterization reveals the formation and growth of Li6PS5X crystals in samples under varying annealing conditions. Temperature dependent XRD data showed the monotonic increase of lattice constant within the range of study. For Li6PS5Cl and Li6PS5Br an ionic conductivity of the order of 10-3 S/cm is reached at room temperature, which is close to the Li mobility in conventional liquid electrolytes and well suitable for all-solid-state safe electrochemical energy storage devices. Bond valence analysis of Li ion migration paths for the argyrodites showed the formation of low energy pathway cages around halide ion for Li6PS5Cl, around the sulfide ion for Li6PS5I. For higher activation energies these cages are interconnected to form a 3-D pathway network. In the case of Li6PS5Br cages around Cl and Br require about the same activation energy.

Keywords

crystallineenergy storageionic conductor
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1331: Symposium K – Frontiers of Solid-State Ionics , 2011 , mrss11-1331-k06-04
Copyright
Copyright © Materials Research Society 2011

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