• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

安全電池実現のための適切添加剤を用いた先端的非引火性電解液の理論的設計

Research Project

Project/Area Number 19F19040
Research Category

Grant-in-Aid for JSPS Fellows

Allocation TypeSingle-year Grants
Section外国
Review Section Basic Section 36020:Energy-related chemistry
Research InstitutionNagoya University

Principal Investigator

長岡 正隆  名古屋大学, 情報学研究科, 教授 (50201679)

Co-Investigator(Kenkyū-buntansha) BOUIBES AMINE  名古屋大学, 情報学研究科, 外国人特別研究員
Project Period (FY) 2019-04-25 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥1,500,000 (Direct Cost: ¥1,500,000)
Fiscal Year 2020: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 2019: ¥800,000 (Direct Cost: ¥800,000)
KeywordsComputational design / Nonflammable electrolyte / Dilution / SEI film formation / Red Moon methodology
Outline of Research at the Start

This research will provide a better platform to design new nonflammable electrolyte with desired properties for safe secondary batteries through a detailed study of microscopic properties of electrolyte structures, the formation of SEI films and its stability. As consequent, some additive solvents will be a promising candidate for high performance safe batteries, and some of them will be definitively dismissed. The main impact of the present research is to shorten the way to design advanced fire extinguishing electrolyte for commercial as well as next generation safe batteries.

Outline of Annual Research Achievements

The main goal of this study is to design computationally an advanced non-flammable electrolyte for a practical safe Li-ion batteries. For that, we focused on the dilution the highly salt-concentrated (HC) electrolyte based on non-flammable trimethyl-phosphate (TMP) solvent. First, we aimed to investigate the microscopic mechanism of the solid electrolyte interphase (SEI) layer formation in HC TMP-based electrolyte. Using Red Moon methodology, it was revealed that a large amount of salt anions is localized on the SEI surface in HC electrolyte, enhancing the network formation of a dense inorganic layer with SEI salt-derived species. Next, we aimed to “dilute” such HC TMP-based electrolyte in order to address its low ionic conductivity and high viscosity. For that, new hydrofluoroethers (HFEs) were designed with high degree of fluorination. Using MD and QM calculations, self-diffusion constant of Li+ and the ionic conductivity should be significantly improved by dilution with bis(1,1,2,2-tetrafluoro ethyl) ether (B2E) and bis(pentafluoro ethyl) ether (BPE) compared to other common HFE diluents. In addition, HFEs have high ability to form a localized-concentrated electrolyte in HC TMP-based solution, leading to high expectation for the formation of a stable and a compact inorganic SEI film. Finally, the elasticity of the SEI layer was investigated through the microscopic analysis of the composition effect of the SEI on its mechanical properties. The ductility of the SEI were evaluated as well as the role of each electrolyte compound on the SEI stability.

Research Progress Status

令和2年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

令和2年度が最終年度であるため、記入しない。

Report

(2 results)
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • Research Products

    (6 results)

All 2020 2019

All Journal Article (2 results) (of which Peer Reviewed: 2 results,  Open Access: 1 results) Presentation (4 results) (of which Int'l Joint Research: 2 results)

  • [Journal Article] Theoretically predicting the feasibility of highly-fluorinated ethers as promising diluents for non-flammable concentrated electrolytes2020

    • Author(s)
      Bouibes Amine、Saha Soumen、Nagaoka Masataka
    • Journal Title

      Scientific Reports

      Volume: 10 Issue: 1 Pages: 21966-21966

    • DOI

      10.1038/s41598-020-79038-y

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Microscopic Origin of the Solid Electrolyte Interphase Formation in Fire-Extinguishing Electrolyte: Formation of Pure Inorganic Layer in High Salt Concentration2019

    • Author(s)
      Bouibes Amine、Takenaka Norio、Saha Soumen、Nagaoka Masataka
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 10 Issue: 19 Pages: 5949-5955

    • DOI

      10.1021/acs.jpclett.9b02392

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Presentation] Microscopic Mechanism of SEI Layer Formation in Highly Concentrated Electrolytes Based on the Nonflammable Trimethyl Phosphate Solvent2019

    • Author(s)
      A. Bouibes, N. Takenaka, S. Saha, M. Nagaoka
    • Organizer
      Materials Research Meeting (MRM2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study of Salt Concentration Effect on SEI Film Formation in Non-Flammable Electrolyte2019

    • Author(s)
      A. Bouibes, N. Takenaka, S. Saha, M. Nagaoka
    • Organizer
      第60回電池討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Microscopic Mechanism of SEI Film Formation in Highly Concentrated Electrolytes Based on Nonflammable Trimethyl Phosphate Solvent2019

    • Author(s)
      A. Bouibes, N. Takenaka, S. Saha, M. Nagaoka
    • Organizer
      APATCC2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Microscopic Mechanism of SEI Layer Formation in Highly Concentrated Electrolytes Based on the Nonflammable Trimethyl Phosphate Solvent2019

    • Author(s)
      A. Bouibes, N. Takenaka, S. Saha, M. Nagaoka
    • Organizer
      化学反応経路探索のニューフロンティア(SRPS2019)
    • Related Report
      2019 Annual Research Report

URL: 

Published: 2019-05-29   Modified: 2024-03-26  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi