电化学
电解质
锂(药物)
窗口(计算)
离子
材料科学
电化学窗口
热稳定性
砜
化学工程
无机化学
电极
化学
计算机科学
工程类
高分子化学
有机化学
离子电导率
物理化学
医学
内分泌学
操作系统
作者
Qiaojun Li,W. Wu,Yu Liu,Haixia Ren,Chuan Wu,Ying Bai
标识
DOI:10.26599/emd.2023.9370022
摘要
To meet the demands of high-voltage lithium-ion batteries (LIBs), we develop a novel electrolyte through theoretical calculations and electrochemical characterization. Triphenylphosphine oxide (TPPO) is introduced as a film-forming additive into a sulfone-based electrolyte containing 1 mol L−1 lithium difluoro(oxalate)borate (LiDFOB). Density functional theory (DFT) calculations show that TPPO has a lower reduction potential compared to the sulfone-based solvent. Hence, it is expected that TPPO will be oxidized before the sulfone-based solvent and form a cathode electrolyte interphase (CEI) layer on the Li-rich cathode. Our research findings demonstrate that the addition of 2 wt.% TPPO to the sulfone-based electrolyte significantly enhances the ionic conductivity within the temperature range of 20–60 °C. Additionally, it increases the discharge capacity of LIBs in the range of 2–4.8 V while maintaining excellent rate performance and cycling stability. Flammability tests and thermal gravimetric analysis (TGA) results indicate the excellent non-flammability and thermal stability of the electrolyte.
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