Crossover dynamics of non-Fickian ionic diffusion in solids

Ionic diffusion in solids underpins energy storage, electronics, and catalysis, yet conventional diffusion models often fail to capture complexities arising from confinement, crystallographic disorder, lattice distortions, and coupled transport with phonons or electrons. These challenges are particularly pronounced in battery materials, where ionic and electronic carriers move together, complicating the interpretation of electrochemical measurements. Here we employ tracer exchange as a direct, non-electrochemical probe to reveal rich ion dynamics in the model one-dimensional (1D) conductor olivine LiXFePO4 (0 ≤ X ≤ 1). 6Li-7Li isotope exchange confirms single-file diffusion (SFD), where 1D confinement prevents ion bypassing and preserves spatial order. Kinetic Monte Carlo (KMC) simulations and chronoamperometry further quantify Faradaic and non-Faradaic surface exchange, identifying electron transport as rate-limiting during electrochemical reactions. In contrast, Li-Na exchange exhibits apparent superdiffusion, where the exchange rate increases with Na content. Simulations attribute this behavior to surface-exchange limitation and Na+-enhanced Li+ cross-channel hopping that drives a dimensional crossover from 1D to quasi-2D transport, supported by 4D-STEM and in situ synchrotron XRD. These results establish tracer exchange as a powerful platform for probing coupled multi-ion and electron transport in solids. Ion motion in battery solids can deviate from classical diffusion behavior. Here, the authors use tracer exchange to reveal anomalous ion transport in LixFePO4 solids and show how surface exchange, lattice effects, and electrons shape diffusion.

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Publication Details

Journal
Nature Communications
Published
2026-05-30
DOI
https://doi.org/10.1038/s41467-026-73937-w
Primary Topic
Advanced Battery Materials and Technologies
Type
article
Field-Weighted Citation Impact
0.00

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article

Crossover dynamics of non-Fickian ionic diffusion in solids

Gangbin Yan, Hua Zhou, Dongchen Ying, Qizhang Li et al.
Nature Communications
Advanced Battery Materials and Technologies
article

Crossover dynamics of non-Fickian ionic diffusion in solids

Gangbin Yan, Hua Zhou, Dongchen Ying, Qizhang Li, Alexandros Vasileiadis, Mingzhan Wang, Marnix Wagemaker, Barbara Lavina, Zhichu Tang, Shakul Pathak, Esen E. Alp, Martin Z. Bazant, Pierfrancesco Ombrini, Maoyu Wang, Chong Liu, Qian Chen, Suin Choi
article en

Abstract

Ionic diffusion in solids underpins energy storage, electronics, and catalysis, yet conventional diffusion models often fail to capture complexities arising from confinement, crystallographic disorder, lattice distortions, and coupled transport with phonons or electrons. These challenges are particularly pronounced in battery materials, where ionic and electronic carriers move together, complicating the interpretation of electrochemical measurements. Here we employ tracer exchange as a direct, non-electrochemical probe to reveal rich ion dynamics in the model one-dimensional (1D) conductor olivine LiXFePO4 (0 ≤ X ≤ 1). 6Li-7Li isotope exchange confirms single-file diffusion (SFD), where 1D confinement prevents ion bypassing and preserves spatial order. Kinetic Monte Carlo (KMC) simulations and chronoamperometry further quantify Faradaic and non-Faradaic surface exchange, identifying electron transport as rate-limiting during electrochemical reactions. In contrast, Li-Na exchange exhibits apparent superdiffusion, where the exchange rate increases with Na content. Simulations attribute this behavior to surface-exchange limitation and Na+-enhanced Li+ cross-channel hopping that drives a dimensional crossover from 1D to quasi-2D transport, supported by 4D-STEM and in situ synchrotron XRD. These results establish tracer exchange as a powerful platform for probing coupled multi-ion and electron transport in solids. Ion motion in battery solids can deviate from classical diffusion behavior. Here, the authors use tracer exchange to reveal anomalous ion transport in LixFePO4 solids and show how surface exchange, lattice effects, and electrons shape diffusion.

Nature Communications
Argonne National Laboratory (US), University of Illinois Urbana-Champaign (US), University of Chicago (US), Massachusetts Institute of Technology (US), Stanford University (US), Delft University of Technology (NL)
National Science Foundation, U.S. Department of Energy, Shell, Shell Global Solutions International, Office of Science, Division of Earth Sciences, Basic Energy Sciences, Argonne National Laboratory, SLAC National Accelerator Laboratory
Openalex Percentile: Top 99%
Advanced Battery Materials and Technologies
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