# Correlations between Li-Ion Concentration, Solvation Structure, and Equilibrium Potential of Li–Naphthalenide Solution for Li Alloying of Si Negative Electrode of Next-Generation Batteries

https://mdr.nims.go.jp/datasets/b6ebbaed-fac7-41a0-aa73-5d0d584601aa

## File

- [Manuscript _final.pdf](https://mdr.nims.go.jp/filesets/158ae9a7-9db6-4b05-b83f-17214906d7a2/download) ([Detail](https://mdr.nims.go.jp/filesets/158ae9a7-9db6-4b05-b83f-17214906d7a2.md))

## Id

b6ebbaed-fac7-41a0-aa73-5d0d584601aa

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-04-14T23:58:24.127191Z

## Updated at

2025-04-15T00:58:25.275846Z

## Published at

2026-04-01T23:25:58.584284Z

## Doi

https://doi.org/10.48505/nims.5428

## First published url

https://doi.org/10.1021/acsaem.4c03286

## Date published

2025-04-14

## Recorded date published

2025-4-14

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Correlations between Li-Ion Concentration, Solvation Structure, and Equilibrium
    Potential of Li–Naphthalenide Solution for Li Alloying of Si Negative Electrode
    of Next-Generation Batteries
  title_type: original
  lang: en

## Description

- description: Most next-generation batteries, such as LiS and Li–O2 batteries, generally
    consider use of Li metal as the negative electrode (NE) to greatly increase the
    energy density compared with conventional Li-ion batteries. However, a serious
    problem of the Li NE in practical use is Li dendrite growth because of cell short
    circuits. To solve this problem, the Si NE is a good alternative candidate, but
    this does not include a Li source as the carrier ion. Therefore, Li pre-doping
    of Si NE will become important for next-generation batteries. In this study, we
    prepared Li–naphthalenide (Li–NTL) solutions using Li foil, naphthalene, and 2-methyltetrahydrofuran
    and examined the effect of Li concentration on the Li alloying behavior. In particular,
    changes in the solvation structure and equilibrium potential of the Li–NTL solution,
    and the resulting Li alloying depth of the Si NE were evaluated to clarify the
    Li alloying mechanism by the Li–NTL solution. A high Li concentration generated
    a larger amount of the [NTL]2− dianion than the [NTL]•– monoanion radical,
    and exhibited a lower equilibrium potential (Veq). This led to deeper Li alloying
    of the Si NE, corresponding to a high pre-doping capacity of 3250 mAh g−1 for
    a 24 h treatment. Li concentration was found to be important to control the amount
    of dianion in the Li–NTL solution and determined the depth of Li alloying in Si
    NE.
  description_type: abstract
  lang: und

## Creator

- name: Fumisato Ozawa
  role: author
  orcid: https://orcid.org/0009-0008-7214-0885
- name: Yusuke Himata
  role: author
- name: Hikaru Enomoto
  role: author
- name: Shota Azuma
  role: author
- name: Akihiro Nomura
  role: author
  orcid: https://orcid.org/0000-0001-5012-4739
- name: Morihiro Saito
  role: author
  orcid: https://orcid.org/0000-0001-7062-8336

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: Si anode
  schema: not_defined
- subject: Li predoping
  schema: not_defined
- subject: prelithiation
  schema: not_defined
- subject: Li-naphthalenide
  schema: not_defined
- subject: radical anions
  schema: not_defined
- subject: next-generation batteries
  schema: not_defined

## Rights

- description: This document is the Accepted Manuscript version of a Published Work
    that appeared in final form in ACS Applied Energy Materials, copyright © 2025
    American Chemical Society after peer review and technical editing by the publisher.
    To access the final edited and published work see https://doi.org/10.1021/acsaem.4c03286.
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2025-04-02
end_date: 2026-04-03

## Journal

- title: ACS Applied Energy Materials
  issn: '25740962'
  volume: '8'
  issue: '7'
  start_page: 4370
  end_page: 4378

## Conference



## Related item



## Funding

- identifier: FY2024
  funder_name: Amano Institute of Technology
- funder_name: Seikei University
- funder_name: National Institute for Materials Science

## Instrument



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## Specimen



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## Fileset

- id: 158ae9a7-9db6-4b05-b83f-17214906d7a2
  filename: Manuscript _final.pdf
  content_type: application/pdf
  size: 1447683
  md5: b1cab9d19476dc239806c802cfde10a7

## Thumbnail

fileset_id: 158ae9a7-9db6-4b05-b83f-17214906d7a2
filename: Manuscript _final.pdf