# Li Jump Diffusionand Long-Range Transport in GarnetSingle Crystals: Spanning the kHz–GHz Range

https://mdr.nims.go.jp/datasets/11827380-4c65-4bea-88e7-398d8ad05940

## File

- [acs.chemmater.6c00979.pdf](https://mdr.nims.go.jp/filesets/8705b0de-f16e-4b31-ab95-a0d31c9d8bc9/download) ([Detail](https://mdr.nims.go.jp/filesets/8705b0de-f16e-4b31-ab95-a0d31c9d8bc9.md))

## Id

11827380-4c65-4bea-88e7-398d8ad05940

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-07-29T00:14:48.136194Z

## Updated at

2026-07-29T00:34:13.265952Z

## Published at

2026-07-29T03:29:21.333765Z

## Doi



## First published url

https://doi.org/10.1021/acs.chemmater.6c00979

## Date published

2026-07-28

## Recorded date published

2026-7-28

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: |-
    Li Jump Diffusion
    and Long-Range Transport in Garnet
    Single Crystals: Spanning the kHz–GHz Range
  title_type: original
  lang: en

## Description

- description: Understanding and controlling Li-ion transport in garnet-type oxides
    is central to advancing solid electrolytes for all-solid-state energy storage
    systems. Garnet electrolytes have long been recognized for their high ionic conductivity,
    and the availability of large single crystals now enables a direct, frequency-resolved
    view of Li-ion dynamics over a broad time window. In such structurally and chemically
    homogeneous systems, responses from electrical and nuclear magnetic resonance
    measurements are expected to align, yielding a consistent picture of frequency-dependent
    Li-ion hopping processes. Here, we investigate single-crystalline Li6.5La3Zr1.5Ta0.5O12
    and probe ion dynamics from the kHz to GHz range using a combination of 7Li nuclear
    spin relaxation (NSR) and electrical conductivity spectroscopy. Long-range transport
    (5 × 10–4 S cm–1 at 293 K) is consistently described by activation energies in
    the range of 0.41 to 0.47 eV, whereas localized ion dynamics, observed, e.g.,
    by laboratory-frame NSR, are associated with much lower barriers of approximately
    0.22 eV. In comparison with single-crystalline Li6La3ZrTaO12, which exhibits reduced
    ionic mobility, we propose that changes in ionic mobility are compensated by a
    higher effective charge-carrier concentration Nc in systems with lower Li contents.
    For Li6.5La3Zr1.5Ta0.5O12, the Li+ mobility is higher by approximately 1 order
    of magnitude; however, the resulting conductivity only slightly exceeds that of
    Li6La3ZrTaO12, presumably due to a lower density of mobile charge carriers. This
    finding highlights that Nc is a key parameter to consider in these systems that
    indeed sensitively governs the practical ionic conductivity.
  description_type: abstract
  lang: und

## Creator

- name: Jana Königsreiter
  role: author
- name: Jonas Spychala
  role: author
  orcid: https://orcid.org/0000-0001-8315-6163
- name: Gergö Horvath
  role: author
- name: Kunimitsu Kataoka
  role: author
  orcid: https://orcid.org/0000-0001-5322-3011
- name: Florian Stainer
  role: author
  orcid: https://orcid.org/0000-0003-2072-2687
- name: Junji Akimoto
  role: author
  orcid: https://orcid.org/0000-0001-9636-7680
- name: H. Martin R. Wilkening
  role: author
  orcid: https://orcid.org/0000-0001-9706-4892

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: lithium
  schema: not_defined
- subject: dynamics
  schema: not_defined
- subject: diffusion
  schema: not_defined
- subject: NMR
  schema: not_defined
- subject: solid electrolytes
  schema: not_defined
- subject: garnet
  schema: not_defined
- subject: single crystals
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Chemistry of Materials
  issn: '08974756'
  volume: '38'
  issue: '14'
  start_page: 7254
  end_page: 7266

## Conference



## Related item



## Funding

- identifier: 10.55776/ESP1533525
  funder_name: Austrian Science Fund
- identifier: WI3600 4-1
  funder_name: German Research Council (DFG)

## Instrument



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## Fileset

- id: 8705b0de-f16e-4b31-ab95-a0d31c9d8bc9
  filename: acs.chemmater.6c00979.pdf
  content_type: application/pdf
  size: 5593337
  md5: c106798356345ff645a0a7bac80577be

## Thumbnail

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filename: acs.chemmater.6c00979.pdf