biostudies-literatureUnknown11(2)Li ZUnderstanding the moisture stability of oxide Li-ion conductors is important for their practical applications in solid-state batteries. Unlike sulfide or halide conductors, oxide conductors generally better resist degradation when in contact with water but can still undergo topotactic Li⁺/H⁺ exchange (LHX). Here, we combine density functional theory (DFT) calculations with a machine-learning interatomic potential model to investigate the thermodynamic driving force of the LHX reaction for two representative oxide Li-ion conductor families: garnets and NASICONs. Li-stuffed garnets exhibit a strong driving force for proton exchange due to their high Li chemical potential. In contrast, NASICONs demonstrate a higher resistance against proton exchange due to the lower Li cACS energy letters1659-1669https://www.ebi.ac.uk/biostudies/studies/S-EPMC12910669biostudies-literatureLi<sup>+</sup>/H<sup>+</sup> Exchange in Solid-State Oxide Li-Ion Conductors.PMC12910669Li ZWang SLam BXCeder GfalseLi<sup>+</sup>/H<sup>+</sup> Exchange in Solid-State Oxide Li-Ion Conductors.Understanding the moisture stability of oxide Li-ion conductors is important for their practical applications in solid-state batteries. Unlike sulfide or halide conductors, oxide conductors generally better resist degradation when in contact with water but can still undergo topotactic Li⁺/H⁺ exchange (LHX). Here, we combine density functional theory (DFT) calculations with a machine-learning interatomic potential model to investigate the thermodynamic driving force of the LHX reaction for two representative oxide Li-ion conductor families: garnets and NASICONs. Li-stuffed garnets exhibit a strong driving force for proton exchange due to their high Li chemical potential. In contrast, NASICONs demonstrate a higher resistance against proton exchange due to the lower Li c2026-01-01T00:00:00Z2026 Feb2026-07-16T10:00:46.863Z2026-07-09T10:47:52.998ZS-EPMC129106694171077910.1021/acsenergylett.5c02980