期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 16, 期 9, 页码 3934-3938出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cp55130j
关键词
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资金
- Chinese Scholarship Council
- Department of Energy [DE-FG02-06ER46296]
- National Science Foundation [CBET-0852353]
We present a contact-corrected density functional theory for ionic distributions at an interface that not only accounts for the steric effects and electrostatic correlations often ignored by conventional electrochemical methods but also conforms to the exact statistical-mechanical sum rule for the contact ionic densities. The theoretical predictions are in excellent agreement with the simulation results for both the interfacial structure and electrochemical properties over a wide variety of electric double layer systems including those containing asymmetric electrolytes with multivalent ions.
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