An experimental and first-principle investigation of the Ca-substitution effect on P3-type layered NaxCoO2. Issue 58 (17th June 2020)

• Record Type: Journal Article
• Authors: Ishado, Yuji; Hasegawa, Hirona; Okada, Shigeto; Mizuhata, Minoru; Maki, Hideshi; Matsui, Masaki
• Is Part Of: Chemical communications. Volume 56:Issue 58(2020)
• Page Start: 8107
• Page End: 8110
• Publication Date: 2020-06-17
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/d0cc01675f
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : We synthesize Ca-substituted P3-type layered Na x CoO2 . Our experimental and computational studies prove that the Ca-substitution suppresses irreversible phase transition and shows significant improvement in cycling performance. Abstract : We experimentally and computationally investigated the Ca substitution effect on the electrochemical performance of P3-Na x CoO2 . The cycle performance of Ca-substituted Na x Ca0.04 CoO2 was effectively improved due to its better crystallinity retention after charging. Our DFT calculations suggested that the presence of Ca 2+ ions in Na sites kinetically mitigates phase transition.