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A Theoretical Study of Growth of Solid-Electrolyte-Interphase Films in Lithium-Ion Batteries with Organosilicon Compounds

Published online by Cambridge University Press:  30 January 2019

Suguru Ueda ,
Kumpei Yamada ,
Kaoru Konno ,
Minoru Hoshino ,
Katsunori Kojima  and
Naotaka Tanaka
Suguru Ueda*
Affiliation:
Advanced Technology Research & Development Center, Hitachi Chemical Co., Ltd., Ibaraki, Japan
Kumpei Yamada
Affiliation:
Advanced Technology Research & Development Center, Hitachi Chemical Co., Ltd., Ibaraki, Japan
Kaoru Konno
Affiliation:
Advanced Technology Research & Development Center, Hitachi Chemical Co., Ltd., Ibaraki, Japan
Minoru Hoshino
Affiliation:
Advanced Technology Research & Development Center, Hitachi Chemical Co., Ltd., Ibaraki, Japan
Katsunori Kojima
Affiliation:
Advanced Technology Research & Development Center, Hitachi Chemical Co., Ltd., Ibaraki, Japan
Naotaka Tanaka
Affiliation:
Advanced Technology Research & Development Center, Hitachi Chemical Co., Ltd., Ibaraki, Japan
*
*(Email: su-ueda@hitachi-chem.co.jp)
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Abstract

We attempt to reveal how electrolyte additives affect the structural evolution of the solid electrolyte interphase (SEI) film on the anode surface of a lithium-ion secondary battery. Employing the hybrid Monte-Carlo/molecular-dynamics method, we theoretically investigate the SEI film structures in organic liquid-electrolyte systems with and without an organosilicon additive. The results show that the excessive growth of the SEI film is suppressed by introducing the organosilicon additives. It is further elucidated that the decomposition products of the organosilicon molecules are stably aggregated in the vicinity of the anode surface, and protect the electrolyte solvents and the lithium salts from the further reductive decomposition. These findings imply that the organosilicon additive possibly improves the cycle performance of LIBs owing to the formation of the effective SEI film.

Keywords

simulationadditivesinterfaceLi
Type
Articles
Information
MRS Advances , Volume 4 , Issue 14: Energy-Transfer, Storage and Conversion , 2019 , pp. 801 - 806
Copyright
Copyright © Materials Research Society 2019 

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