Department of Energy Science and Engineering
Electrochemistry Laboratory for Sustainable Energy(ELSE)
1. Journal Articles
Desolvation and decomposition of metal (Mn, Co and Ni)-ethylene carbonate complexes: Relevance to battery performance
- Title
- Desolvation and decomposition of metal (Mn, Co and Ni)-ethylene carbonate complexes: Relevance to battery performance
- Author(s)
- Han, Young-Kyu ; Lee, Keonjoon ; Kang, Sunwoo ; Huh, Yun Suk ; Lee, Hochun
- Issued Date
- 2014-01
- Citation
- Computational Materials Science, v.81, pp.548 - 550
- Type
- Article
- Author Keywords
- Density functional calculation ; Desolvation ; Electrolyte ; Electron transfer ; Ethylene carbonate ; Lithium-ion battery
- Keywords
- UNDERSTAND SURFACE-CHEMISTRY ; LITHIUM-ION BATTERIES ; SPINEL ; ELECTROLYTE ; ADDITIVES ; MANGANESE(II) ; NICKEL(II) ; COBALT(II) ; CATHODE ; ANODES
- ISSN
- 0927-0256
- Abstract
- Dissolved metal ions (Mn2+, Co2+, and Ni 2+) 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 ∼ Ni). © 2013 Elsevier B.V. All rights reserved.
- Publisher
- Elsevier B.V.
- Related Researcher
-
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Lee, Hochun
- Research Interests Lithium-ion batteries; Novel Materials for rechargeable batteries; Novel energy conversion;storage systems; Electrochemistry; 리튬이차전지; 이차전지용 신규 전극 및 전해액; 신규 에너지변환 및 저장 시스템; 전기화학
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