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Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li14SiP6.
Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L; van Wüllen, Leo; Gasteiger, Hubert A; Fässler, Thomas F.
Afiliação
  • Strangmüller S; Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4 , D-85747 Garching , Germany.
  • Eickhoff H; Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4 , D-85747 Garching , Germany.
  • Müller D; Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4 , D-85747 Garching , Germany.
  • Klein W; Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4 , D-85747 Garching , Germany.
  • Raudaschl-Sieber G; Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4 , D-85747 Garching , Germany.
  • Kirchhain H; Department of Physics , University of Augsburg , Universitätsstrasse 1 , D-86159 Augsburg , Germany.
  • Sedlmeier C; Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4 , D-85747 Garching , Germany.
  • Baran V; Heinz Maier-Leibnitz Zentrum , Technische Universität München , Lichtenbergstrasse 1 , D-85748 Garching , Germany.
  • Senyshyn A; Heinz Maier-Leibnitz Zentrum , Technische Universität München , Lichtenbergstrasse 1 , D-85748 Garching , Germany.
  • Deringer VL; Department of Engineering , University of Cambridge , Cambridge CB2 1PZ , United Kingdom.
  • van Wüllen L; Department of Physics , University of Augsburg , Universitätsstrasse 1 , D-86159 Augsburg , Germany.
  • Gasteiger HA; Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4 , D-85747 Garching , Germany.
  • Fässler TF; Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4 , D-85747 Garching , Germany.
J Am Chem Soc ; 141(36): 14200-14209, 2019 Sep 11.
Article em En | MEDLINE | ID: mdl-31403777
ABSTRACT
Solid electrolytes with superionic conductivity are required as a main component for all-solid-state batteries. Here we present a novel solid electrolyte with three-dimensional conducting pathways based on "lithium-rich" phosphidosilicates with ionic conductivity of σ > 10-3 S cm-1 at room temperature and activation energy of 30-32 kJ mol-1 expanding the recently introduced family of lithium phosphidotetrelates. Aiming toward higher lithium ion conductivities, systematic investigations of lithium phosphidosilicates gave access to the so far lithium-richest compound within this class of materials. The crystalline material (space group Fm3m), which shows reversible thermal phase transitions, can be readily obtained by ball mill synthesis from the elements followed by moderate thermal treatment of the mixture. Lithium diffusion pathways via both tetrahedral and octahedral voids are analyzed by temperature-dependent powder neutron diffraction measurements in combination with maximum entropy method and DFT calculations. Moreover, the lithium ion mobility structurally indicated by a disordered Li/Si occupancy in the tetrahedral voids plus partially filled octahedral voids is studied by temperature-dependent impedance and 7Li NMR spectroscopy.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Am Chem Soc Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Alemanha

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Am Chem Soc Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Alemanha
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