Formation mechanism of protective interphase for high voltage cathodes by phenyl trifluoromethyl sulfide

Xiongwen Zheng; Xianshu Wang; Lidan Xing; Youhao Liao; Mengqing Xu; Xiang Liu; Weishan Li

doi:10.1016/j.electacta.2020.136469

Formation mechanism of protective interphase for high voltage cathodes by phenyl trifluoromethyl sulfide

Xiongwen Zheng, Xianshu Wang, Lidan Xing, Youhao Liao, Mengqing Xu, Xiang Liu, Weishan Li

South China Normal University

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摘要

The formation mechanism of protective interphases on high voltage cathodes of lithium ion batteries, resulting from phenyl trifluoromethyl sulfide (PTS) as an electrolyte additive, is understood through theoretical calculations, and confirmed by evaluating the cyclic stability of a lithium-rich cathode, Li_1·2Mn_0·54Ni_0·13Co_0·13O₂, in the electrolytes with and without PTS. It is found that PTS is oxidized through the transferring of one fluorine atom from methyl to phenyl and the subsequent breaking of bond S–C in phenyl, yielding fluorobenzene and sulfur-contained radical that construct mainly the protective interphase. With this interphase formed from PTS, the cyclic stability of Li_1·2Mn_0·54Ni_0·13Co_0·13O₂ is significantly improved. The capacity retention of Li_1·2Mn_0·54Ni_0·13Co_0·13O₂ in 1.0 M LiPF₆-EC/EMC/DEC (3/5/2 by weight) at 0.5C after 200 cycles is enhanced from 39% to 83% by adding 0.5% PTS.

源语言	英语
文章编号	136469
期刊	Electrochimica Acta
卷	352
DOI	https://doi.org/10.1016/j.electacta.2020.136469
出版状态	已出版 - 20 8月 2020
已对外发布	是

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title = "Formation mechanism of protective interphase for high voltage cathodes by phenyl trifluoromethyl sulfide",

abstract = "The formation mechanism of protective interphases on high voltage cathodes of lithium ion batteries, resulting from phenyl trifluoromethyl sulfide (PTS) as an electrolyte additive, is understood through theoretical calculations, and confirmed by evaluating the cyclic stability of a lithium-rich cathode, Li1·2Mn0·54Ni0·13Co0·13O2, in the electrolytes with and without PTS. It is found that PTS is oxidized through the transferring of one fluorine atom from methyl to phenyl and the subsequent breaking of bond S–C in phenyl, yielding fluorobenzene and sulfur-contained radical that construct mainly the protective interphase. With this interphase formed from PTS, the cyclic stability of Li1·2Mn0·54Ni0·13Co0·13O2 is significantly improved. The capacity retention of Li1·2Mn0·54Ni0·13Co0·13O2 in 1.0 M LiPF6-EC/EMC/DEC (3/5/2 by weight) at 0.5C after 200 cycles is enhanced from 39% to 83% by adding 0.5% PTS.",

keywords = "Cyclic stability, Formation mechanism, High voltage cathode, Phenyl trifluoromethyl sulfide, Protective interphase",

author = "Xiongwen Zheng and Xianshu Wang and Lidan Xing and Youhao Liao and Mengqing Xu and Xiang Liu and Weishan Li",

note = "Publisher Copyright: {\textcopyright} 2020 Elsevier Ltd",

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doi = "10.1016/j.electacta.2020.136469",

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T1 - Formation mechanism of protective interphase for high voltage cathodes by phenyl trifluoromethyl sulfide

AU - Zheng, Xiongwen

AU - Wang, Xianshu

AU - Xing, Lidan

AU - Liao, Youhao

AU - Xu, Mengqing

AU - Liu, Xiang

AU - Li, Weishan

PY - 2020/8/20

Y1 - 2020/8/20

N2 - The formation mechanism of protective interphases on high voltage cathodes of lithium ion batteries, resulting from phenyl trifluoromethyl sulfide (PTS) as an electrolyte additive, is understood through theoretical calculations, and confirmed by evaluating the cyclic stability of a lithium-rich cathode, Li1·2Mn0·54Ni0·13Co0·13O2, in the electrolytes with and without PTS. It is found that PTS is oxidized through the transferring of one fluorine atom from methyl to phenyl and the subsequent breaking of bond S–C in phenyl, yielding fluorobenzene and sulfur-contained radical that construct mainly the protective interphase. With this interphase formed from PTS, the cyclic stability of Li1·2Mn0·54Ni0·13Co0·13O2 is significantly improved. The capacity retention of Li1·2Mn0·54Ni0·13Co0·13O2 in 1.0 M LiPF6-EC/EMC/DEC (3/5/2 by weight) at 0.5C after 200 cycles is enhanced from 39% to 83% by adding 0.5% PTS.

AB - The formation mechanism of protective interphases on high voltage cathodes of lithium ion batteries, resulting from phenyl trifluoromethyl sulfide (PTS) as an electrolyte additive, is understood through theoretical calculations, and confirmed by evaluating the cyclic stability of a lithium-rich cathode, Li1·2Mn0·54Ni0·13Co0·13O2, in the electrolytes with and without PTS. It is found that PTS is oxidized through the transferring of one fluorine atom from methyl to phenyl and the subsequent breaking of bond S–C in phenyl, yielding fluorobenzene and sulfur-contained radical that construct mainly the protective interphase. With this interphase formed from PTS, the cyclic stability of Li1·2Mn0·54Ni0·13Co0·13O2 is significantly improved. The capacity retention of Li1·2Mn0·54Ni0·13Co0·13O2 in 1.0 M LiPF6-EC/EMC/DEC (3/5/2 by weight) at 0.5C after 200 cycles is enhanced from 39% to 83% by adding 0.5% PTS.

KW - Cyclic stability

KW - Formation mechanism

KW - High voltage cathode

KW - Phenyl trifluoromethyl sulfide

KW - Protective interphase

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U2 - 10.1016/j.electacta.2020.136469

DO - 10.1016/j.electacta.2020.136469

M3 - 文章

AN - SCOPUS:85085618330

SN - 0013-4686

VL - 352

JO - Electrochimica Acta

JF - Electrochimica Acta

M1 - 136469

ER -

Formation mechanism of protective interphase for high voltage cathodes by phenyl trifluoromethyl sulfide

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