Issue 9, 2014

A contact-corrected density functional theory for electrolytes at an interface

Abstract

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.

Graphical abstract: A contact-corrected density functional theory for electrolytes at an interface

Article information

Article type
Communication
Submitted
06 Dec 2013
Accepted
17 Jan 2014
First published
17 Jan 2014

Phys. Chem. Chem. Phys., 2014,16, 3934-3938

A contact-corrected density functional theory for electrolytes at an interface

J. Jiang, D. Cao, D. Henderson and J. Wu, Phys. Chem. Chem. Phys., 2014, 16, 3934 DOI: 10.1039/C3CP55130J

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements