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Issue 19, 2020
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Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions

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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

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Article information


Submitted
02 Dec 2019
Accepted
19 Dec 2019
First published
19 Dec 2019

This article is Open Access

Phys. Chem. Chem. Phys., 2020,22, 10426-10430
Article type
Communication

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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