Defying Coulomb's law: A lattice-induced attraction between lithium ions
Defying Coulomb's law: A lattice-induced attraction between lithium ions
复制标题
DOI：
10.1016/j.carbon.2018.07.039
复制
发表时间：
2018-11-01
期刊：
影响因子：
10.9
通讯作者：
Schmickler, Wolfgang
中科院分区：
文献类型：
--
作者：
Juarez, Fernanda;Dominguez-Flores, Fabiola;Schmickler, Wolfgang
通常，具有相同电荷的离子会相互排斥，但在极少数情况下，介入介质可以产生明显的吸引力。我们利用密度泛函理论研究了锂离子在半导体碳纳米管上的吸附，一个离子在里面，另一个在外面。管屏蔽了离子之间的直接库仑相互作用，但内部离子的存在有利于外部离子的吸附，从而产生明显的吸引力。我们根据管的电子能带结构给出了定量解释，并推测同样的效果也适用于其他碳材料。我们的结果可以解释在锂电池中观察到的锂离子的明显吸引力。 (C) 2018 Elsevier Ltd. 保留所有权利。
Normally ions with the same charge repel each other, but in very rare cases an intervening medium can produce an apparent attraction. We have studied the adsorption of Li-ions on semiconducting carbon nanotubes by density functional theory, one ion being inside, the other outside. The tube shields the direct Coulomb interaction between the ions, but the presence of the ion inside facilitates the adsorption of the ion outside, thus producing an apparent attraction. We give a quantitative explanation based on the electronic band structure of the tube, and surmise, that the same effect will hold on other carbon materials. Our results may explain the apparent attraction of Li-ions that has been observed in Li-batteries. (C) 2018 Elsevier Ltd. All rights reserved.