基于以太的功能化离子液体在硫电池中的相互作用:一项第一原则研究
Chengren Li1,2, Nan Zhou1,2, Jiaxin Tang1,2
1National Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, Yunnan, 650093, China.
概括
以为基础的有离子液体与溶解离子有效抑制聚硫化在硫电池的吸附. 循环酸表现出卓越的性能,增强了电池的稳定性和设计.
科学领域:
- 电化学 电化学 电化学
- 材料科学 材料科学 材料科学
- 电池技术 电池技术
背景情况:
- 硫 (Li-S) 电池在理论上具有很高的能量密度,但受到"航天飞机效应"的影响.
- 由聚硫化物 (LiPS) 迁移引起的穿效应降低了电池的性能.
- 离子液体 (ILs) 作为电解质被探索以减轻这些问题.
研究的目的:
- 为了评估以基ILs与溶解离子,以抑制它们在金属上的LiPS吸附的能力.
- 了解阴离子结构和化能力在控制LiPS-电解质相互作用中的作用.
- 调查这些ILs对LiPS-界面反应性的影响.
主要方法:
- 合成和评估各种以太基ILs与不同的溶化 ([Li(G1)2]+,[Li(G2)2]+,[LiG3]+,[LiG4]+,[LiG6]+) 和[TFSA]-离子.
- 短链LiPS (Li2S1,Li2S2,Li2S4) 在金属上的吸附性研究.
- 开始模拟分子动力学模拟以分析阴离子-离子相互作用和界面反应性.
主要成果:
- 溶解酸有效合Li+离子,防止它们与LiPS直接相互作用,并减轻穿效应.
- 与线性类似物相比,循环[LiG6]+离子表现出优异的Li+化,稳定性和降低的LiPS吸附.
- 模拟证实以为基础的IL稳定了离子,并降低了LiPS-金属接口的反应性.
结论:
- 量身定制的酸盐离子液体可以有效地控制 Li-S 电池中的 LiPS 界面行为.
- 阴离子的化能力对于抑制穿效应至关重要.
- 这些发现为设计高性能Li-S电池的先进电解质铺平了道路.
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