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

Autor:	Hirona Hasegawa, Hideshi Maki, Minoru Mizuhata, Yuji Ishado, Shigeto Okada, Masaki Matsui
Rok vydání:	2020
Předmět:	Phase transition Materials science Metals and Alloys General Chemistry Electrochemistry Catalysis Surfaces Coatings and Films Electronic Optical and Magnetic Materials Ion Crystallinity Materials Chemistry Ceramics and Composites Physical chemistry First principle Substitution effect
Zdroj:	Chemical Communications. 56:8107-8110
ISSN:	1364-548X 1359-7345
Popis:	We experimentally and computationally investigated the Ca substitution effect on the electrochemical performance of P3-NaxCoO2. The cycle performance of Ca-substituted Na(x)Ca(0.04)CoO(2)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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57ec0c507547f0d6ca3e70da3488607e https://doi.org/10.1039/d0cc01675f Zobrazit plný text záznamu