Design of novel additives and nonaqueous solvents for lithium-ion batteries through screening of cyclic organic molecules: an ab initio study of redox potentials

2014 ◽  
Vol 16 (40) ◽  
pp. 22391-22398 ◽  
Author(s):  
Min Sik Park ◽  
Yoon-Sok Kang ◽  
Dongmin Im ◽  
Seok-Gwang Doo ◽  
Hyuk Chang
Keyword(s):  
Ab Initio ◽  
Lithium Ion Batteries ◽  
Organic Molecules ◽  
Lithium Ion ◽  
Nonaqueous Solvents ◽  
Redox Potentials ◽  
Ab Initio Study

Ni-stabilizing additives for completion of Ni-rich layered cathode systems in lithium-ion batteries: An Ab initio study

2019 ◽  
Vol 418 ◽  
pp. 74-83 ◽  
Author(s):  
Dong Young Kim ◽  
Insun Park ◽  
Yongwoo Shin ◽  
Dong-Hwa Seo ◽  
Yoon-Sok Kang ◽  
...  
Keyword(s):  
Ab Initio ◽  
Lithium Ion Batteries ◽  
Lithium Ion ◽  
Ab Initio Study

A search map for organic additives and solvents applicable in high-voltage rechargeable batteries

2016 ◽  
Vol 18 (38) ◽  
pp. 26807-26815 ◽  
Author(s):  
Min Sik Park ◽  
Insun Park ◽  
Yoon-Sok Kang ◽  
Dongmin Im ◽  
Seok-Gwang Doo
Keyword(s):  
Lithium Ion Batteries ◽  
Functional Groups ◽  
Organic Compounds ◽  
High Voltage ◽  
Lithium Ion ◽  
Quantitative Relationship ◽  
Rechargeable Batteries ◽  
Cycle Performance ◽  
Redox Potentials ◽  
Organic Additives

A search map composed of the redox potentials of ∼1 000 000 organic compounds is theoretically generated for finding novel electrolytes. The quantitative relationship between the redox potentials and functional groups is suggested. The cycle performance of lithium ion batteries is improved by applying a screened anodic additive.

Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study

2016 ◽  
Vol 18 (12) ◽  
pp. 8643-8653 ◽  
Author(s):  
Yukihiro Okuno ◽  
Keisuke Ushirogata ◽  
Keitaro Sodeyama ◽  
Yoshitaka Tateyama
Keyword(s):  
Solid Electrolyte ◽  
Lithium Ion Batteries ◽  
Electrolyte Solution ◽  
Lithium Fluoride ◽  
Solid Electrolyte Interphase ◽  
Lithium Ion ◽  
Ab Initio Study ◽  
Fluoroethylene Carbonate ◽  
The Stability ◽  
Fluoroethylene Carbonate Additive

Additives in the electrolyte solution of lithium-ion batteries (LIBs) have a large impact on the performance of the solid electrolyte interphase (SEI) that forms on the anode and is a key to the stability and durability of LIBs.

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