范德瓦尔斯力
离子
化学
双层(生物学)
泊松-玻尔兹曼方程
玻尔兹曼常数
电容
物理
统计物理学
图层(电子)
材料科学
热力学
电极
量子力学
纳米技术
分子
作者
Aniruddha Seal,Utkarsh Tiwari,Ankur Gupta,Ananth Govind Rajan
摘要
. We observe how varying parameters such as the electrolyte concentration and electrode potential affect the structure of the EDL due to the competition between ion-specific LJ and electrostatic interactions. Lastly, we show that the inclusion of vdW and soft repulsion interactions, as well as hydration effects, leads to a better qualitative agreement of the PB models with experimental double-layer differential capacitance data. Overall, the modified PB-LJ approach presented herein will lead to more accurate theoretical descriptions of EDLs in various application areas.
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