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Impacts of solvent electric dipole and ion valency on energy storage in ultrananoporous supercapacitor: An ising model study
Journal of Physics and Chemistry of Solids ( IF 4.3 ) Pub Date : 2021-05-26 , DOI: 10.1016/j.jpcs.2021.110188
Shiqi Zhou , Run Zhou , Cheng Tian

A four-state BEG model is constructed to investigate effects of electric dipole of solvent molecule and ion valency on differential capacitance Cd and energy storage Eof the supercapacitor based on electrical double layer inside an ultranano-cylindrical pore about the size of the ions and solvent. In the model, existence of voids is permitted, solvent molecule is modelled as neutral hard sphere with an electrical dipole moment and ions are described by the primitive model; all electrostatic interactions between cation, anion, and polarized charges on the solvent molecule are limited to the nearest neighbor interactions. The present investigation is limited to weak solvent-solvent electrostatic interaction in comparison to that of the solvent-ion and ion-ion. New effects are found and summarized as follows. (i) There appears a zero Cd and zero E platform around the zero surface potential, which widens with the increase of the solvent transfer energy w0 and moves to positive surface potential side with replacement of the monovalent cation by bivalent cation. (ii) The saturated surface potential |Usat|, beyond which Cd reduces to zero and E reaches its saturation value Esat, is positively correlated with the w0 value. The correlation strength reduces with the counter-ion valence. (iii) For appropriate positive w0 value, both |Usat| and Esat always increase with the solvent polarized charge valence b and dipole length l whether the electrolyte type is +1: 1 or +2: 1; whereas for negative w0 value, the value and l value effects are very small and graphically unobservable. (iv) Presence of bivalent counter-ions causes an increase of the Cd peak strength and Esat value, whereas the presence of bivalent co-ion almost does not bring graphically observed effect. (v) Within the ranges of the b and l values considered, the energy storage is raised by increasing the solvent electrical dipole moment (whether by increasing b valueb or l value) without paying for the cost of high surface potential applied.



中文翻译:

溶剂电偶极子和离子价对超纳米超级电容器储能的影响:一个正在建立的模型研究

构建四态BEG模型研究溶剂分子电偶极子和离子价对微分电容的影响 Cd 和能量储存 超级电容器基于离子和溶剂大小的超纳米圆柱孔内的双电层。模型中允许存在空隙,溶剂分子被建模为具有电偶极矩的中性硬球,离子用原始模型描述;溶剂分子上的阳离子、阴离子和极化电荷之间的所有静电相互作用仅限于最近邻相互作用。与溶剂-离子和离子-离子的静电相互作用相比,本研究仅限于弱溶剂-溶剂静电相互作用。发现新效果并总结如下。(i) 出现零Cd 和零 零表面电位周围的平台,随着溶剂转移能的增加而变宽 0并移动到正表面电位侧,用二价阳离子取代一价阳离子。(ii) 饱和表面电位|一种|,除此之外 Cd 减少到零和 达到饱和值 一种, 与 0价值。相关强度随着反离子价数的增加而降低。(iii) 对于适当的阳性0 价值,两者 |一种|一种 总是随着溶剂极化电荷价而增加 和偶极子长度 电解液类型是+1:1还是+2:1;而对于负0 价值,价值和 价值效应非常小,而且在图形上无法观察到。(iv) 二价反离子的存在导致Cd 峰值强度和 一种值,而二价共离子的存在几乎不会带来图形观察到的效果。(v) 在规定的范围内 考虑的值,通过增加溶剂电偶极矩(无论是通过增加 价值 或者 价值),而无需支付应用高表面电位的成本。

更新日期:2021-06-02
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