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Synthesis, structural characterization, and lithium ion conductivity of the lithium thiophosphate Li2P2S6

DOI: 10.1021/acs.inorgchem.7b00751 DOI Help

Authors: Christian Dietrich (Justus-Liebig-University Giessen) , Dominik A. Weber (Justus-Liebig-University Giessen) , Sean Culver (Justus-Liebig-University Giessen) , Anatoliy Senyshyn (Technische Universität München) , Stefan J. Sedlmaier (University of Oxford) , Sylvio Indris (Karlsruhe Institute of Technology) , Jürgen Janek (Justus-Liebig-University Giessen; Karlsruhe Institute of Technology) , Wolfgang G. Zeier (Justus-Liebig-University Giessen)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Inorganic Chemistry

State: Published (Approved)
Published: May 2017
Diamond Proposal Number(s): 13560

Abstract: Inspired by the ongoing search for new superionic lithium thiophosphates for use in solid-state batteries, we present the synthesis and structural characterization of Li2P2S6, a novel crystalline lithium thiophosphate. Whereas M2P2S6 with the different alkaline elements (M = Na, K, Rb, Cs) is known, the lithium counterpart has not been reported yet. Herein, we present a combination of synchrotron pair distribution function analysis and neutron powder diffraction to elucidate the crystal structure and possible Li+ diffusion pathways of Li2P2S6. Additionally, impedance spectroscopy is used to evaluate its ionic conductivity. We show that Li2P2S6 possesses P2S62– polyhedral units with edge-sharing PS4 tetrahedra and only one-dimensional diffusion pathways with localized Li–Li pairs, leading to a low ionic conductivity for lithium.

Journal Keywords: Diffusion; Crystal structure; Space group; Neutron diffraction; Lithium

Diamond Keywords: Solid-State Batteries (SSB); Batteries; Lithium-ion

Subject Areas: Chemistry, Energy, Materials

Instruments: I15-Extreme Conditions

Added On: 15/05/2017 09:49

Discipline Tags:

Physical Chemistry Energy Energy Storage Materials Science Energy Materials Chemistry

Technical Tags:

Diffraction X-ray Powder Diffraction