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An experimental and first-principle investigation of the Ca-substitution effect on P3-type layered NaxCoO2

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Abstract

We experimentally and computationally investigated the Ca substitution effect on the electrochemical performance of P3-NaxCoO2. The cycle performance of Ca-substituted NaxCa0.04CoO2 was effectively improved due to its better crystallinity retention after charging. Our DFT calculations suggested that the presence of Ca2+ ions in Na sites kinetically mitigates phase transition.

Graphical abstract: An experimental and first-principle investigation of the Ca-substitution effect on P3-type layered NaxCoO2

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Article information


Submitted
04 Mar 2020
Accepted
09 Jun 2020
First published
09 Jun 2020

Chem. Commun., 2020, Advance Article
Article type
Communication

An experimental and first-principle investigation of the Ca-substitution effect on P3-type layered NaxCoO2

Y. Ishado, H. Hasegawa, S. Okada, M. Mizuhata, H. Maki and M. Matsui, Chem. Commun., 2020, Advance Article , DOI: 10.1039/D0CC01675F

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