锂化巴克明斯特富勒烯 Li4C60 中的低维 Li+ 离子动力学

IF 3 4区 材料科学 Q3 CHEMISTRY, PHYSICAL
Bernhard Gadermaier , H. Martin R. Wilkening
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引用次数: 0

摘要

锂化巴克敏斯特富勒烯(Li4C60)最近被发现是一种快速的Li+离子导体。在这里,我们对Li4C60中的7Li动力学进行了全面的基于核磁共振的分析。我们的研究结果表明,远程锂跳变的特征是活化能为0.26 eV。在378 K时,Li+的跃迁速率约为109 s−1,根据选择的跃迁距离(3.6-5 Å)将跃迁速率转换为D,其爱因斯坦-斯莫鲁霍夫斯基扩散系数D的范围为约2 ~ 5 × 10−7 cm2 s−1,相应的Arrhenius前因子达到3 × 1012 s−1,位于典型声子频率范围内。将我们的弛豫速率与先前文献中提出的弛豫速率进行比较,表明Li+在Li4C60中的低维扩散。对于短程或局域Li+跃迁过程,可能是由运动相关效应控制的,我们发现活化能要低得多,范围在0.08 ~ 0.17 eV之间。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Low-dimensional Li+ ion dynamics in the lithiated Buckminster fullerene Li4C60

Low-dimensional Li+ ion dynamics in the lithiated Buckminster fullerene Li4C60
Lithiated Buckminster fullerene (Li4C60) has recently been identified as a fast Li+ ion conductor. Here, we present a comprehensive NMR-based analysis of 7Li dynamics in Li4C60. Our findings indicate that long-range lithium hopping is to be characterized by an activation energy of 0.26 eV. At 378 K, the Li+ jump rate turned out to be in the order of 109 s−1, which translates into Einstein-Smoluchowski diffusion coefficients D ranging from ca. 2 to 5 × 10−7 cm2 s−1, depending on the jump distance chosen (3.6–5 Å) to convert the jump rate into D. The corresponding Arrhenius pre-factor reaches 3 × 1012 s−1 and lies in the range of typical phonon frequencies. Comparing our relaxation rates with those presented in the literature earlier suggests low-dimensional Li+ diffusion in Li4C60. For short-range or localized Li+ jump processes, presumably governed by motional correlation effects, we find much lower activation energies ranging from 0.08 eV to 0.17 eV.
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来源期刊
Solid State Ionics
Solid State Ionics 物理-物理:凝聚态物理
CiteScore
6.10
自引率
3.10%
发文量
152
审稿时长
58 days
期刊介绍: This interdisciplinary journal is devoted to the physics, chemistry and materials science of diffusion, mass transport, and reactivity of solids. The major part of each issue is devoted to articles on: (i) physics and chemistry of defects in solids; (ii) reactions in and on solids, e.g. intercalation, corrosion, oxidation, sintering; (iii) ion transport measurements, mechanisms and theory; (iv) solid state electrochemistry; (v) ionically-electronically mixed conducting solids. Related technological applications are also included, provided their characteristics are interpreted in terms of the basic solid state properties. Review papers and relevant symposium proceedings are welcome.
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