论文标题
离子液体电界面的界面分层
Interfacial layering in the electric double layer of ionic liquids
论文作者
论文摘要
离子液体和浓缩电解质中的离子位于拥挤的，强烈的相互作用的环境中，导致在接口处形成离散层的电荷层。在这里，我们提出了一种连续理论，该理论捕获了从过度筛分的过渡 - 在低表面电势下过量电荷的交替层到拥挤 - 在高表面电势下相同符号的密集层的密集层形成。该模型在电荷密度中以单个离子直径的波长输出缓慢的振荡，如梯度扩展的分析所示。梯度膨胀提出了一个新的结构，用于描述带电接口处静电电势的部分微分方程。我们发现该理论和分子模拟之间的定量一致性在差分电容和浓度谱图中。
Ions in ionic liquids and concentrated electrolytes reside in a crowded, strongly-interacting environment, leading to the formation of discrete layers of charges at interfaces. Here, we propose a continuum theory that captures the transition from overscreening-- alternating layers of excess charge at low surface potential, to overcrowding-- the formation of dense layers of charge of the same sign at high surface potential. The model outputs slowly-decaying oscillations in the charge density with a wavelength of single ion diameters, as shown by analysis of the gradient expansion. The gradient expansion suggests a new structure for partial differential equations describing the electrostatic potential at charged interfaces. We find quantitative agreement between the theory and molecular simulations in the differential capacitance and concentration profiles.
