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

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...

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Published inChemical communications (Cambridge, England) Vol. 56; no. 58; pp. 8107 - 8110
Main Authors Ishado, Yuji, Hasegawa, Hirona, Okada, Shigeto, Mizuhata, Minoru, Maki, Hideshi, Matsui, Masaki
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 25.07.2020
Subjects
Calcium ions
Electrochemical analysis
First principles
Phase transitions
Substitutes
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Summary: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.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
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ISSN:1359-7345
1364-548X
DOI:10.1039/d0cc01675f