Atomistic insights into the chemical stability and ionic transport at Li-metal/Li-argyrodite interfaces

Chantal M. I. Baer; Roman Shantsila; Łukasz Figiel; Bora Karasulu

doi:10.1039/d6ta00922k

January 1, 2026Journal of Materials Chemistry AOpen Access

Atomistic insights into the chemical stability and ionic transport at Li-metal/Li-argyrodite interfaces

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Key Points

The central aim is to investigate the chemical stability and ionic transport characteristics at the Li-metal/Li-argyrodite interface.
Conducted atomistic simulations to model the interface behavior.
Analyzed the formation of the solid-electrolyte interface (SEI).
Examined the crystallization behavior of the SEI into the antifluorite phase.
Identified the formation of an amorphous solid-electrolyte interface.
Found that the SEI subsequently crystallizes into an antifluorite phase.
Noted that this antifluorite phase exhibits poor lithium-ion conductivity.

Implication

Atomistic simulations reveal the formation and crystallization of an SEI at lithium-metal interfaces, indicating implications for ionic conductivity.

Abstract

Atomistic simulations of the Li-metal/Li-argyrodite interface reveal the formation of an amorphous solid-electrolyte interface (SEI) that then crystallises into an antifluorite phase of poor Li-ion conductivity.

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Cite This Study

Baer et al. (2026) studied this question.

synapsesocial.com/papers/69e4739a010ef96374d8f61b https://doi.org/10.1039/d6ta00922k

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Atomistic insights into the chemical stability and ionic transport at Li-metal/Li-argyrodite interfaces

Key Points

Implication

Abstract

Discussion

Cite This Study

Atomistic insights into the chemical stability and ionic transport at Li-metal/Li-argyrodite interfaces

Key Points

Implication

Abstract

Discussion

Cite This Study

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