Fundamental Understanding of Oxidative Stability in Fluorinated Asymmetric Ethers for Li Batteries.

Liang-Ting Wu, Norio Takenaka, Jyh-Chiang Jiang, Atsuo Yamada

Abstract read

In one paragraph

Article in Angewandte Chemie (International ed. in English), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

4 authors.

Liang-Ting WuDepartment of Chemical System Engineering, School of Engineering, The University of Tokyo, Bunkyo-ku, Tokyo, Japan.ORCID https://orcid.org/0000-0002-4093-9093

Norio TakenakaDepartment of Chemical System Engineering, School of Engineering, The University of Tokyo, Bunkyo-ku, Tokyo, Japan.ORCID https://orcid.org/0000-0001-7813-4736

Jyh-Chiang JiangDepartment of Chemical Engineering, Sustainable Electrochemical Energy Development (SEED) Center, National Taiwan University of Science and Technology, Taipei, Taiwan.ORCID https://orcid.org/0000-0002-4225-5250

Atsuo YamadaDepartment of Chemical System Engineering, School of Engineering, The University of Tokyo, Bunkyo-ku, Tokyo, Japan.ORCID https://orcid.org/0000-0002-7880-5701

Funding

Japan Science and Technology Agency JPMJPF2016Ministry of Education, Culture, Sports, Science and Technology JPMXP1122712807National Science and Technology Council 114-2639-E-011-001-ASPNational Science and Technology Council 114-2923-E-011-001National Science and Technology Council 115-2927-I-011-502National Science and Technology Council NSTC 113-2113-M-011-003-MY3

6 · The paper itself

Abstract

Fluorination strategies for electrolyte solvents are widely used to improve the electrochemical performance and cycling stability of Li-metal batteries. Recently, β-fluorinated 1-ethoxy-2-methoxyethane (FxEME) has been designed and shown to exhibit excellent oxidative stability. However, solvent design remains largely empirical, and its atomistic-level effects are not fully understood. Here, we investigated how fluorination affects the oxidative stability of asymmetric ethers, (Fx)EME, using multiscale modeling with density functional theory (DFT), ab initio molecular dynamics (AIMD), and machine-learning force field (MLFF)-MD. DFT and AIMD capture fluorination-induced electronic-structure changes with high accuracy, while MLFF-MD enables exploration of interfacial reactions at larger time and length scales. Our results indicate that β-fluorination stabilizes ethoxy C-H bonds via inductive effects and weakens solvent-cathode (Li

Indexed as

density functional theoryfluorinated asymmetric ethersLi batteriesmachine‐learning force fieldslow‐growth approaches

Identifiers

PMID42333889

DOI10.1002/anie.3143736

PMCPMC13502641

What OpenQuestion holds

Textmetadata

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.