将乙酰化锂(Li2C2)确立为锂离子电池中固体电解质相间层的功能元素

IF 5.4 Q2 CHEMISTRY, PHYSICAL
Viviane Maccio-Figgemeier , Gebrekidan Gebresilassie Eshetu , Damian Mroz , Hyunsang Joo , Egbert Figgemeier
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引用次数: 0

摘要

在此之前,已利用拉曼光谱发现锂-乙酰化物(Li2C2)是锂金属电极上的电解质降解产物。这就提出了一个问题:在没有锂金属存在的锂离子电池中,石墨电极上是否也会形成 Li2C2?为了阐明这一研究问题,我们对半电池和全电池配置的石墨电极进行了一系列原位拉曼实验。所记录的与电池电位相关的光谱清楚地证明了电极在锂化状态下存在着 Li2C2,但相应的峰值在去锂化时消失了。这一观察结果表明涉及到 Li2C2 的过程具有一定的可逆性。有几种化学/电化学反应可能会产生这种效应。关于 Li2C2 纳米团簇的性质及其在固体-电解质相间(SEI)中的潜在作用,对其进行了 DFT 计算,结果显示其能带间隙极低,因此具有显著的导电性。结合相对较高的离子电导率,Li2C2 似乎在锂离子电池的降解过程中发挥了关键作用,而这一点在相间模拟中尚未被揭示或考虑。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Establishing Li-acetylide (Li2C2) as functional element in solid-electrolyte interphases in lithium-ion batteries

Establishing Li-acetylide (Li2C2) as functional element in solid-electrolyte interphases in lithium-ion batteries

Previously, lithium-acetylide (Li2C2) had been identified as electrolyte degradation product on lithium-metal based electrodes using Raman spectroscopy. This raised the question, if Li2C2 is also be formed on graphitic electrodes in lithium-ion batteries without lithium metal present. In order to shed light on this research question, we performed a series of in situ Raman experiments with graphitic electrodes in half- and full-cell configuration. The recorded cell potential dependent spectra clearly prove the presence of Li2C2 in the lithiated state of the electrodes, but the according peak vanishes when delithiating. This observation indicates a somewhat reversible process involving Li2C2. Several chemical/electrochemical reactions are in question to contribute to this effect. With respect to its properties and potential role in the solid-electrolyte interphase (SEI) DFT calculations of Li2C2-nanoclusters were performed, which revealed an exceptionally low energy band gap, hence a remarkable electric conductivity. In conjunction with a relatively high ionic conductivity, Li2C2 appears to play a key role in the degradation of lithium-ion batteries, which had not yet been revealed nor taken into account in simulations of the interphase.

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来源期刊
CiteScore
9.10
自引率
0.00%
发文量
18
审稿时长
64 days
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