Effect of the Cation Sublattice Configuration on Li Ion Dynamics for the Spinel Li–Mg–Al–Cl System

Spinel-based halide solid electrolytes (HSEs) are gaining recent attention as they incorporate more affordable elements (Mn, Mg, and Fe) compared to conventional layered Li3MCl6 (M = Y, Sc, Er, In, Yb). However, the lithium occupancy is either fully saturated or exhibits limited disorder at elevated temperatures, resulting in lower ionic conductivity. To address these issues, we introduced Al3+ doping into Li2MgCl4, which creates both disorder and vacancies that improve conductivity by more than 2 orders of magnitude (∼0.1 mS cm–1 at 30 °C), although this is still not on par with the best-layered HSEs. This discrepancy is primarily due to the migration of Mg2+ ions from 16d to new site 16c, which led to blocking effects for long-range Li+ diffusion, confirmed through neutron diffraction, solid-state NMR, hopping frequency, and DFT analysis. Nonetheless, this work provides valuable insights for the design of high-conductivity and cost-effective spinel halides for future solid-state battery applications.

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Publication Details

Journal
ACS Energy Letters
Published
2025-09-02
DOI
https://doi.org/10.1021/acsenergylett.5c02238
Citations
1
Primary Topic
Advancements in Battery Materials
Type
article
Field-Weighted Citation Impact
0.73

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article

Effect of the Cation Sublattice Configuration on Li Ion Dynamics for the Spinel Li–Mg–Al–Cl System

Maxim Avdeev, Ripan Kumar Biswas, Aditya Rawal, Anh T. Ngo et al.
1 citations
ACS Energy Letters
Advancements in Battery Materials
0.73
article

Effect of the Cation Sublattice Configuration on Li Ion Dynamics for the Spinel Li–Mg–Al–Cl System

Maxim Avdeev, Ripan Kumar Biswas, Aditya Rawal, Anh T. Ngo, Amreen Bano, Abhik Banerjee, Selva Chandrasekaran Selvaraj, Lily Mandal, Neeraj Sharma, Chen Zhao, Susmita Bera, Anagha Vinayan
article en
1 citations

Abstract

Spinel-based halide solid electrolytes (HSEs) are gaining recent attention as they incorporate more affordable elements (Mn, Mg, and Fe) compared to conventional layered Li3MCl6 (M = Y, Sc, Er, In, Yb). However, the lithium occupancy is either fully saturated or exhibits limited disorder at elevated temperatures, resulting in lower ionic conductivity. To address these issues, we introduced Al3+ doping into Li2MgCl4, which creates both disorder and vacancies that improve conductivity by more than 2 orders of magnitude (∼0.1 mS cm–1 at 30 °C), although this is still not on par with the best-layered HSEs. This discrepancy is primarily due to the migration of Mg2+ ions from 16d to new site 16c, which led to blocking effects for long-range Li+ diffusion, confirmed through neutron diffraction, solid-state NMR, hopping frequency, and DFT analysis. Nonetheless, this work provides valuable insights for the design of high-conductivity and cost-effective spinel halides for future solid-state battery applications.

ACS Energy LettersVol. 10(9)
The University of Sydney (AU), Australian Nuclear Science and Technology Organisation (AU), Illinois College (US), University of Illinois System (US), UNSW Sydney (AU), University of Illinois Chicago (US), TCG Crest (IN), Academy of Scientific and Innovative Research (IN)
Australian Nuclear Science and Technology Organisation, Australian Research Council
Openalex Percentile: Top 24%
Advancements in Battery Materials
0.73
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