Structure and capacitance of an electric double layer of an asymmetric valency dimer electrolyte: A comparison of the density functional theory with Monte Carlo simulations

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• 作者：Douglas Henderson^a ; Whasington Silvestre-Alcantara^b ; Monika Kaja^c ; Stanisław Lamperski^c ; Jianzhong Wu^d ; Lutful Bari Bhuiyan^b ;
• 关键词：Planar electric double layer ; Density functional theory ; Anisotropic ion shape ; Asymmetric valencies
• 刊名：Journal of Molecular Liquids
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：228
• 期：Complete
• 页码：236-242
• 全文大小：983 K
• 卷排序：228

文摘

Density functional theory is applied to a charge asymmetric dimer double layer. Agreement of structure and differential capacitance with simulations is remarkable. Asymmetric double peaks in the capacitance curves are not mirror images of each other.