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An experimental and first-principle investigation of the Ca-substitution effect on P3-type layered NaxCoO2.
Ishado, Yuji; Hasegawa, Hirona; Okada, Shigeto; Mizuhata, Minoru; Maki, Hideshi; Matsui, Masaki.
Afiliación
  • Ishado Y; Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, Kasuga-koen 6-1, Kasuga 816-8580, Japan.
  • Hasegawa H; Department of Chemical Science and Engineering, Kobe University, Kobe, Japan. matsui@godzilla.kobe-u.ac.jp.
  • Okada S; Institute for Materials Chemistry and Engineering, Kyushu University, Kasuga-koen, Kasuga 816-8580, Japan and Elements Strategy Initiative for Catalyst and Batteries (ESICB), Kyoto University, Japan.
  • Mizuhata M; Department of Chemical Science and Engineering, Kobe University, Kobe, Japan. matsui@godzilla.kobe-u.ac.jp and Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387 Kraków, Poland.
  • Maki H; Department of Chemical Science and Engineering, Kobe University, Kobe, Japan. matsui@godzilla.kobe-u.ac.jp.
  • Matsui M; Department of Chemical Science and Engineering, Kobe University, Kobe, Japan. matsui@godzilla.kobe-u.ac.jp and Elements Strategy Initiative for Catalyst and Batteries (ESICB), Kyoto University, Japan.
Chem Commun (Camb) ; 56(58): 8107-8110, 2020 Jul 21.
Article en En | MEDLINE | ID: mdl-32555815
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.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Commun (Camb) Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Japón
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Commun (Camb) Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Japón