气候变化领域集成服务门户(CCPortal): Image-charge effects on ion adsorption near aqueous interfaces

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DOI	10.1073/pnas.2020615118
	Image-charge effects on ion adsorption near aqueous interfaces
	Son C.Y.; Wang Z.-G.
发表日期	2021
ISSN	0027-8424
卷号	118 期号:19
英文摘要	Electrostatic interactions near surfaces and interfaces are ubiquitous in many fields of science. Continuum electrostatics predicts that ions will be attracted to conducting electrodes but repelled by surfaces with lower dielectric constant than the solvent. However, several recent studies found that certain "chaotropic" ions have similar adsorption behavior at air/water and graphene/water interfaces. Here we systematically study the effect of polarization of the surface, the solvent, and solutes on the adsorption of ions onto the electrode surfaces using molecular dynamics simulation. An efficient method is developed to treat an electrolyte system between two parallel conducting surfaces by exploiting the mirror-expanded symmetry of the exact image-charge solution. With neutral surfaces, the image interactions induced by the solvent dipoles and ions largely cancel each other, resulting in no significant net differences in the ion adsorption profile regardless of the surface polarity. Under an external electric field, the adsorption of ions is strongly affected by the surface polarization, such that the charge separation across the electrolyte and the capacitance of the cell is greatly enhanced with a conducting surface over a low-dielectric-constant surface. While the extent of ion adsorption is highly dependent on the electrolyte model (the polarizability of solvent and solutes, as well as the van derWaals radii), we find the effect of surface polarization on ion adsorption is consistent throughout different electrolyte models. © 2021 National Academy of Sciences. All rights reserved.
英文关键词	Aqueous interfaces; Electrochemical cell; Image-charge method; Ion adsorption; Polarization
语种	英语
scopus关键词	ion; solvent; water; adsorption; aqueous solution; Article; charge separation; controlled study; dielectric constant; dipole; electric capacitance; electric field; electrical parameters; image charge effect; molecular dynamics; physical phenomena; polarization; priority journal; solute; surface property
来源期刊	Proceedings of the National Academy of Sciences of the United States of America
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/238572
作者单位	Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, United States; Department of Chemistry, Pohang University of Science and Technology, Pohang, 37673, South Korea; Division of Advanced Materials Science, Pohang University of Science and Technology, Pohang, 37673, South Korea
推荐引用方式 GB/T 7714	Son C.Y.,Wang Z.-G.. Image-charge effects on ion adsorption near aqueous interfaces[J],2021,118(19).
APA	Son C.Y.,&Wang Z.-G..(2021).Image-charge effects on ion adsorption near aqueous interfaces.Proceedings of the National Academy of Sciences of the United States of America,118(19).
MLA	Son C.Y.,et al."Image-charge effects on ion adsorption near aqueous interfaces".Proceedings of the National Academy of Sciences of the United States of America 118.19(2021).