Cited 3 time in webofscience Cited 3 time in scopus

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
Authors
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
2014-01
Citation
Computational Materials Science, 81, 548-550
Type
Article
Article Type
Article
Keywords
Anode SurfacesBattery PerformanceCalculationsCarbonationDensity Functional CalculationDensity Functional TheoryDesolvationDissolved Metal IonsElectrolyteElectrolytesElectron TransferElectron TransitionsEthyleneEthylene CarbonateFirst-Principles CalculationLithium-Ion BatteryLithium BatteriesManganeseMetal IonsNickel
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.
URI
http://hdl.handle.net/20.500.11750/3133
DOI
10.1016/j.commatsci.2013.09.017
Publisher
Elsevier B.V.
Related Researcher
  • Author Lee, Ho Chun Electrochemistry Laboratory for Sustainable Energy(ELSE)
  • 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
Files:
There are no files associated with this item.
Collection:
Energy Science and EngineeringElectrochemistry Laboratory for Sustainable Energy(ELSE)1. Journal Articles


qrcode mendeley

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE