# Unveiling Key Factors and Design Implications for Enhancing Li Diffusion in Garnet Ionic Conductors

https://mdr.nims.go.jp/datasets/3cc4d4c0-f502-4f2b-b236-6970c858a2b6

## File

- [7th-AMDS-abstract.pdf](https://mdr.nims.go.jp/filesets/d2e83760-d3c3-4742-b65c-db05c30ca129/download) ([Detail](https://mdr.nims.go.jp/filesets/d2e83760-d3c3-4742-b65c-db05c30ca129.md))

## Id

3cc4d4c0-f502-4f2b-b236-6970c858a2b6

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2023-11-06T04:20:56.824846Z

## Updated at

2023-11-06T06:06:12.103896Z

## Published at

2023-11-07T04:30:09.398148Z

## Doi

https://doi.org/10.48505/nims.4254

## First published url



## Date published



## Recorded date published



## Resource type

conference_presentation

## Manuscript type

na

## Collection



## Title

- title: Unveiling Key Factors and Design Implications for Enhancing Li Diffusion
    in Garnet Ionic Conductors
  title_type: original
  lang: en

## Description

- description: This study presents data-driven insights into the key factors influencing
    Li diffusion in garnet ionic conductors and their implications for design and
    optimization. Understanding and enhancing Li diffusion in these materials is crucial
    for advancing energy storage technologies. Descriptors related to structure, composition,
    atomic environment, conduction pathway, and substitution are employed to analyze
    Li diffusion in garnet structures. Through extensive correlation analysis, we
    establish a clear relationship between Li ionic conduction and important factors,
    including Li concentration, Li occupancy (96h), and substitution at A (24d) and
    D (16a) sites. Additionally, we observe that heterovalent disorder resulting from
    A site substitution affects the atomic environment of Li ions, while sublattice
    disorder through D site substitution influences the Li-Li distance. These data-driven
    findings offer valuable insights for optimizing the design and synthesis of garnet
    ionic conductors with enhanced conductivity. Future investigations may focus on
    further experimental validation and the development of strategies to improve Li
    diffusion and conductivity, thereby paving the path for progress in the field
    of ionic conductors and their application in energy storage systems.
  description_type: abstract
  lang: eng

## Creator

- name: ウー イェン ルー
  role: author
  orcid: https://orcid.org/0000-0003-2647-3407
  organization: National Institute for Materials Science
  department: Center for Basic Research on Materials/Data-driven Materials Research
    Field/Data-driven Inorganic Materials Group
  ror: https://ror.org/026v1ze26
- name: 徐 一斌
  role: author
  orcid: https://orcid.org/0000-0001-8600-8748
  organization: National Institute for Materials Science
  department: Center for Basic Research on Materials/Data-driven Materials Research
    Field/Data-driven Inorganic Materials Group
  ror: https://ror.org/026v1ze26

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## Keyword

- subject: Li ionic conductors, cubic garnet, occupancy, descriptors, Li diffusion
  schema: not_defined

## Rights

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

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## Data origin

- data_origin_type: other

## Embargo



## Journal



## Conference

name: The 7th Asian Materials Data Symposium
start_date: 2023-10-25
end_date: 2023-10-27
identifier: https://www.amds2023.com/index.php

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## Fileset

- id: d2e83760-d3c3-4742-b65c-db05c30ca129
  filename: 7th-AMDS-abstract.pdf
  content_type: application/pdf
  size: 74542
  md5: 2ea8e8d8b7ee889453d4f2e22fb58625

## Thumbnail

fileset_id: d2e83760-d3c3-4742-b65c-db05c30ca129
filename: 7th-AMDS-abstract.pdf