期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 125, 期 27, 页码 14818-14826出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.1c03288
关键词
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资金
- Australian Government
- Australian Research Council (ARC) via the Australian Center for Electromaterials Science [CE140100012]
- ARC LIEF [LE110100141]
- Fundamental Research Funds for the Central Universities [2020kfyXJJS095]
- Chinese Scholarship Council [201808370162]
This study investigates ion associations in two ionic liquid electrolytes based on the novel asymmetric anion DFTFSI. The results show that the proximity of Li-H( anion) disrupts the hydrogen bonding interaction between the anion and cation in the IL electrolyte. Additionally, the C3mpyr DFTFSI-based IL electrolyte demonstrates excellent Li compatibility for future lithium-battery applications.
The ion associations in two ionic liquid (IL) electrolytes based on the novel asymmetric anion (difluoromethanesulfonyl) (trifluoromethanesulfonyl)imide (DFTFSI) are probed in detail using a combination of nuclear magnetic resonance (NMR) methods [heteronuclear overhauser enhancement spectroscopy (HOESY), relaxation, and diffusion] and molecular dynamics (MD) simulations. The Li HOESY NMR technique and MD simulations give insights into the lithium interactions with the IL anions and cations, while the measured HOESY cross-relaxation rates and MD simulations indicate that the Li-H (anion) proximity disrupts the hydrogen bonding interaction previously observed between the DFTFSI anion and the ether oxygen of the N-methyl-N-methoxyethylpyrrolidinium (C mpy) cation in the pure IL. Preliminary electrochemical behavior shows excellent Li compatibility of the C3mpyr DFTFSI-based IL electrolyte for future lithium-battery applications.
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