Unraveling molecular structures and ion effects of electric double layers at metal water interfaces
Unraveling molecular structures and ion effects of electric double layers at metal water interfaces
复制标题
揭示金属水界面双电层的分子结构和离子效应
DOI：
10.1016/j.xcrp.2022.100759
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发表时间：
2022-02
影响因子：
8.9
通讯作者：
Jun Cheng
中科院分区：
文献类型：
--
作者：
Lang Li;Yun-Pei Liu;Jia-Bo Le;Jun Cheng
Electrocatalysis is a decisive factor determining the practicability of green energy technologies. Electric double layers (EDLs) provide suitable chemical environments for electrocatalysis, having direct impact on their activity. However, little is known about EDL structures and dielectric properties. Aiming to address these issues, here we performab initiomolecular dynamics simulations of electrified Ag(111)/water interfaces, and our calculations are able to reproduce the subtle difference in experimental capacitance curves due to ion effects. It is interesting to find that, on weak binding, Ag(111) water chemisorption can be strengthened when positively charged, contributing to the hump in differential capacitance owing to electronic effects. Bulky ClO4−, compared with small F−, increases the EDL width and decreases the water content at interfaces. Furthermore, steric repulsion between ClO4− forces the formation of a second layer of the ions at very positive potentials. These detailed factors dictate the EDL capacitances that depend on the nature of counter ions.
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影响因子：
13.6
作者：
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通讯作者：
Cheng J
影响因子：
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