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'Li'BC: synthesis, electrochemical and solid-state NMR investigations

机译:“ Li” BC:合成,电化学和固态NMR研究

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摘要

'LI'BC was synthesized from the elements in a sealed niobium ampoule. It represents a totally intercalated heterographite with a structural relationship to graphite, the most commonly used anode material for lithium ion batteries. Since 'LI"BC could accommodate three times as much lithium as graphite, its electrochemical properties in the anode and the cathode voltage range were investigated. However, 'LI'BC did show poor performance both as an anode and as a cathode material. The unfavorable characteristics of 'LI'BC with respect to electrochemical de-lithiation and re-insertion can be rationalized on the basis of nuclear magnetic resonance results. 'ANTIPOT. 7 LI' and 'ANTIPOT. 6 LI' isotropic chemical shifts are consistent with complete ionization of the lithium species. Variable-temperature static 'ANTIPOT 7 LI' NMR lineshapes indicate that the mobility of the lithium ions is rather restricted, even at temperatures up to 500 K. The 'ANTIPOT. 11 B' and 'ANTIPOT. 13 C' NMR parameters are consistent with those measured in 'sp POT. 2'-hybridized boron/carbon networks and also support the ionic bonding model.
机译:“ LI” BC是由密封的铌安瓿中的元素合成的。它代表与石墨(一种锂离子电池最常用的负极材料)具有结构关系的完全嵌入的异石墨。由于“ LI” BC所能容纳的锂量是石墨的三倍,因此对其在阳极和阴极电压范围内的电化学性能进行了研究,但是,“ LI” BC作为阳极和阴极材料的性能均较差。可以根据核磁共振结果合理化“ LI” BC在电化学脱锂和重新插入方面的不利特性,“ ANTIPOT。7 LI”和“ ANTIPOT。6 LI”各向同性化学位移完全一致可变温度静态的“ ANTIPOT 7 LI” NMR线形表明,即使在高达500 K的温度下,锂离子的迁移率也受到很大限制。“ ANTIPOT。11 B”和“ ANTIPOT。13 C” NMR参数与在'sp POT.2'杂交的硼/碳网络中测得的参数一致,并且也支持离子键合模型。

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