Revisiting the Role of Hydrogen in Lithium-Rich Antiperovskite Solid Electrolytes : New Insight in Lithium Ion and Hydrogen Dynamics

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Author(s)

  • Sifan Ling
  • Bei Deng
  • Ruo Zhao
  • Haibin Lin
  • Long Kong
  • Zhouguang Lu
  • Juncao Bian
  • Yusheng Zhao

Related Research Unit(s)

Detail(s)

Original languageEnglish
Article number2202847
Journal / PublicationAdvanced Energy Materials
Volume13
Issue number2
Online published27 Nov 2022
Publication statusPublished - 13 Jan 2023

Abstract

Li2OHX (X = Cl or Br) with an antiperovskite structure possess the advantages of low melting point, low cost, and ease of scaling-up, which show great promise for applications in all-solid-state Li metal batteries (ASSLMBs). However, Li-ion transport mechanisms in Li2OHX are still debated and the influence of H on the electrochemical performance of Li2OHX is yet to be explored. Herein, combining the theoretical calculations and experimental measurements, it is found that H affects Li-ion transport, crystal stability, electrochemical stability, and electronic conductivity of Li2OHX. Compared with H-free Li3OCl, although H helps to generate vacancy-like defects, the electrostatic repulsive force between H and Li-ion leads to an increase in both the activation energy and the diffusion length (space compensation effect), resulting in special Li ion transport trajectories along the Li-O plane. Decreasing H content reduces the electronic conductivity and enhances the reduction-resistant ability of Li2OHX, promoting the cycling stability and rate performance of Li∣Li2OHX∣Li symmetric cells and the ASSLMBs. This work delivers a new insight into the role of H in antiperovskite Li2OHX and can serve as guidance for solid electrolyte design.

Research Area(s)

  • Li-ion conduction mechanism, Li-rich antiperovskite, rotational motion, solid electrolytes, space compensation

Citation Format(s)

Revisiting the Role of Hydrogen in Lithium-Rich Antiperovskite Solid Electrolytes: New Insight in Lithium Ion and Hydrogen Dynamics. / Ling, Sifan; Deng, Bei; Zhao, Ruo et al.
In: Advanced Energy Materials, Vol. 13, No. 2, 2202847, 13.01.2023.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review