Tuning mobility and stability of lithium ion conductors based on lattice dynamics

Muy, Sokseiha; Bachman, John C.; Giordano, Livia; Chang, Hao-Hsun; Abernathy, Douglas L.; Bansal, Dipanshu; Delaire, Olivier; Hori, Satoshi; Kanno, Ryoji; Maglia, Filippo; Lupart, Saskia; Lamp, Peter; Shao-Horn, Yang

doi:10.1039/C7EE03364H

Title: Tuning mobility and stability of lithium ion conductors based on lattice dynamics

Journal Article · Wed Apr 18 00:00:00 EDT 2018 · Energy & Environmental Science

DOI:https://doi.org/10.1039/C7EE03364H· OSTI ID:1493940

Muy, Sokseiha ^[1]; Bachman, John C. ^[2];

^[3]; Chang, Hao-Hsun ^[4];

^[5]; Bansal, Dipanshu ^[5]; Delaire, Olivier ^[6]; Hori, Satoshi ^[7]; Kanno, Ryoji ^[7];

^[8]; Lupart, Saskia ^[8]; Lamp, Peter ^[8];

^[9]

Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, USA
Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, USA
Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, USA, Dipartimento di Scienza dei Materiali
Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, USA
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, USA
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, USA, Mechanical Engineering and Materials Science
Department of Chemical Science and Engineering, School of Materials and Chemical Technology, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Midori, Japan
Research Battery Technology, BMW Group, Munich 80788, Germany
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, USA, Department of Mechanical Engineering

Lithium ion conductivity in many structural families can be tuned by many orders of magnitude, with some rivaling that of liquid electrolytes at room temperature. Unfortunately, fast lithium conductors exhibit poor stability against lithium battery electrodes. In this article, we report a fundamentally new approach to alter ion mobility and stability against oxidation of lithium ion conductors using lattice dynamics. By combining inelastic neutron scattering measurements with density functional theory, fast lithium conductors were shown to have low lithium vibration frequency or low center of lithium phonon density of states. On the other hand, lowering anion phonon densities of states reduces the stability against electrochemical oxidation. Olivines with low lithium band centers but high anion band centers are promising lithium ion conductors with high ion conductivity and stability. Such findings highlight new strategies in controlling lattice dynamics to discover new lithium ion conductors with enhanced conductivity and stability.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States); Duke Univ., Durham, NC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: SC0016166; AC02-05CH11231

OSTI ID:: 1493940

Alternate ID(s):: OSTI ID: 1543789

Journal Information:: Energy & Environmental Science, Journal Name: Energy & Environmental Science Vol. 11 Journal Issue: 4; ISSN 1754-5692

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

Citation Metrics:

Cited by: 136 works

Citation information provided by
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