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Desolvation and decomposition of metal (Mn, Co and Ni)-ethylene carbonate complexes: Relevance to battery performance
- Desolvation and decomposition of metal (Mn, Co and Ni)-ethylene carbonate complexes: Relevance to battery performance
- Han, YK[Han, Young-Kyu]; Lee, K[Lee, Keonjoon]; Kang, S[Kang, Sunwoo]; Huh, YS[Huh, Yun Suk]; Lee, H[Lee, Hochun]
- DGIST Authors
- Lee, H[Lee, Hochun]
- Issue Date
- Computational Materials Science, 81, 548-550
- Article Type
- Anode Surfaces; Battery Performance; Calculations; Carbonation; Density Functional Calculation; Density Functional Theory; Desolvation; Dissolved Metal Ions; Electrolyte; Electrolytes; Electron Transfer; Electron Transitions; Ethylene; Ethylene Carbonate; First-Principles Calculation; Lithium-Ion Battery; Lithium Batteries; Manganese; Metal Ions; Nickel
- 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.
- Elsevier B.V.
- Related Researcher
Lee, Ho Chun
Electrochemistry Laboratory for Sustainable Energy(ELSE)
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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- Energy Science and EngineeringElectrochemistry Laboratory for Sustainable Energy(ELSE)1. Journal Articles
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