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Desolvation and decomposition of metal (Mn, Co and Ni)-ethylene carbonate complexes: Relevance to battery performance
- Han, Young-Kyu;
- Lee, Keonjoon;
- Kang, Sunwoo;
- Huh, Yun Suk;
- Lee, Hochun
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11초록
Dissolved metal ions (Mn2+, Co2+, and Ni2+) present in the electrolyte are known to deteriorate the performance of the lithium-ion batteries (LIBs). In this study, ethylene carbonate (EC)-solvated M2+ and M (where M = Mn, Co, and Ni) species are examined by first-principles calculations in order to understand the detrimental impact of metal ions on LIB performance. Our calculations indicate that (1) the Mn2+ ion is the most easily desolvated (Mn2+ > Co2+ > Ni2+) and deposited at the anode surface; and (2) the Mn element more readily causes a cathodic decomposition of EC via metal-to-solvent electron transfer (Mn > Co similar to Ni). (C) 2013 Elsevier B.V. All rights reserved.
키워드
Density functional calculation; Desolvation; Electrolyte; Electron transfer; Ethylene carbonate; Lithium-ion battery; UNDERSTAND SURFACE-CHEMISTRY; LITHIUM-ION BATTERIES; SPINEL; ELECTROLYTE; ADDITIVES; MANGANESE(II); NICKEL(II); COBALT(II); CATHODE; ANODES
- 제목
- Desolvation and decomposition of metal (Mn, Co and Ni)-ethylene carbonate complexes: Relevance to battery performance
- 저자
- Han, Young-Kyu; Lee, Keonjoon; Kang, Sunwoo; Huh, Yun Suk; Lee, Hochun
- 발행일
- 2014-01
- 유형
- Article
- 권
- 81
- 페이지
- 548 ~ 550