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Volumn 161, Issue 3, 2014, Pages

Modeling electrochemical decomposition of fluoroethylene carbonate on silicon anode surfaces in lithium ion batteries

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; ELECTROCHEMICAL DECOMPOSITION; ELECTROLYTE ADDITIVES; FLUOROETHYLENE CARBONATES; LITHIUM-ION BATTERY; MOLECULAR DECOMPOSITION; SOLID ELECTROLYTE INTERPHASE; TWO-ELECTRON REACTION;

EID: 84893670495     PISSN: 00134651     EISSN: 19457111     Source Type: Journal    
DOI: 10.1149/2.092401jes     Document Type: Article
Times cited : (147)

References (71)
  • 1
    • 0003508250 scopus 로고    scopus 로고
    • edited by W. A. van Schalkwijk and B. Scrosati (Kluwer, New York, 2002).
    • Advances in lithium-ion batteries, edited by W. A. van Schalkwijk and B. Scrosati (Kluwer, New York, 2002).
    • Advances in Lithium-ion Batteries
  • 3
    • 7644227934 scopus 로고    scopus 로고
    • K. Xu Chem. Rev., 104, 4303 (2004).
    • (2004) Chem. Rev. , vol.104 , pp. 4303
    • Xu, K.1
  • 26
    • 84893644046 scopus 로고    scopus 로고
    • Even the formation of SEI films from unsubstituted ethylene carbonate (EC) molecules and cosolvent diethyl carbonate (DEC), used as standard laboratory electrolyte, has arguably not been completely understood.27,28 27. I. A. Shkrob, Y. Zhu, T. W. Marin, and D. P. Abraham J. Phys. Chem. C
    • J. Phys. Chem. C
    • Shkrob, I.A.1    Zhu, Y.2    Marin, T.W.3    Abraham, D.P.4
  • 51
    • 84893666315 scopus 로고    scopus 로고
    • Since similar organic functional groups are identified on Si and graphite anode surfaces, the pertinent SEI formation mechanisms is likely similar for both anode materials. One ready explanation is the cracking of LixSiy particles exposing pristine surfaces to allow 2-electron reduction.
    • Since similar organic functional groups are identified on Si and graphite anode surfaces, the pertinent SEI formation mechanisms is likely similar for both anode materials. One ready explanation is the cracking of LixSiy particles exposing pristine surfaces to allow 2-electron reduction.
  • 56
    • 4944230287 scopus 로고    scopus 로고
    • DFT/PBE simulations ofwater, it is well known that elevated temperature is needed to reproduce experimental pair correlation at T = 300 K. See, e.g.
    • In DFT/PBE simulations ofwater, it is well known that elevated temperature is needed to reproduce experimental pair correlation at T = 300 K. See, e.g., E. Schwegler, J. C. Grossman, F. Gygi, and G. Galli J. Chem. Phys., 121, 5400 (2004).
    • (2004) J. Chem. Phys. , vol.121 , pp. 5400
    • Schwegler, E.1    Grossman, J.C.2    Gygi, F.3    Galli, G.4
  • 63
    • 84893676000 scopus 로고    scopus 로고
    • Gaussian 09, Revision A.1, M. J. Fritsch et al., Gaussian, Inc., Wallingford CT, 2009
    • Gaussian 09, Revision A.1, M. J. Fritsch et al., Gaussian, Inc., Wallingford CT, 2009.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.