Issue 19, 2020

Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions

Abstract

Alkaline electrolyte solutions are important components in rechargeable batteries and alkaline fuel cells. As the ionic conductivity is thought to be a limiting factor in the performance of these devices, which are often operated at elevated temperatures, its temperature dependence is of significant interest. Here we use NaOH as a prototypical example of alkaline electrolytes, and for this system we have carried out reactive molecular dynamics simulations with an experimentally verified high-dimensional neural network potential derived from density-functional theory calculations. It is found that in concentrated NaOH solutions elevated temperatures enhance both the contributions of proton transfer to the ionic conductivity and deviations from the Nernst–Einstein relation. These findings are expected to be of practical relevance for electrochemical devices based on alkaline electrolyte solutions.

Graphical abstract: Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions

Supplementary files

Article information

Article type
Communication
Submitted
02 12 2019
Accepted
19 12 2019
First published
19 12 2019
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2020,22, 10426-10430

Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions

Y. Shao, M. Hellström, A. Yllö, J. Mindemark, K. Hermansson, J. Behler and C. Zhang, Phys. Chem. Chem. Phys., 2020, 22, 10426 DOI: 10.1039/C9CP06479F

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