scholarly journals Effect of Fluoroethylene Carbonate Additives on the Initial Formation of the Solid Electrolyte Interphase on an Oxygen-Functionalized Graphitic Anode in Lithium-Ion Batteries

2021 ◽  
Vol 13 (7) ◽  
pp. 8169-8180
Author(s):  
Nadia N. Intan ◽  
Jim Pfaendtner
Keyword(s):  
Solid Electrolyte ◽  
Lithium Ion Batteries ◽  
Solid Electrolyte Interphase ◽  
Lithium Ion ◽  
Initial Formation ◽  
Fluoroethylene Carbonate

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.

scholarly journals Effect of Fluoroethylene Carbonate Additive on the Initial Formation of Solid Electrolyte Interphase on Oxygen Functionalized Graphitic Anode in Lithium Ion Batteries

2020 ◽  
Author(s):  
Nadia Intan ◽  
Jim Pfaendtner
Keyword(s):  
Solid Electrolyte ◽  
Lithium Ion Batteries ◽  
Density Functional ◽  
Reaction Pathway ◽  
Ethylene Carbonate ◽  
Solid Electrolyte Interphase ◽  
Lithium Ion ◽  
Cell Decomposition ◽  
Ab Initio Molecular Dynamics ◽  
Fluoroethylene Carbonate

The formation of a solid electrolyte interphase (SEI) at the electrode/electrolyte interface substantially affects the stability and lifetime of lithium-ion batteries (LIBs). One of the methods to improve the lifetime of LIBs is by the inclusion of additive molecules to stabilize the SEI. To understand the effect of additive molecules on the initial stage of SEI formation, we compare the decomposition and oligomerization reactions of a fluoroethylene carbonate (FEC) additive on a range of oxygen functionalized graphitic anode to those of an ethylene carbonate (EC) organic electrolyte. A series of density functional theory (DFT) calculations augmented by ab-initio molecular dynamics (AIMD) simulations reveal that EC decomposition on an oxygen functionalized graphitic (1120) edge facet through an SN2 mechanism is spontaneous, even in an uncharged cell. Decomposition of EC through an SN2 reaction pathway results in alkoxide species regeneration which is responsible for continual oligomerization along the graphitic surface. In contrast, FEC prefers to decompose through an SN1 pathway, which does not promote alkoxide regeneration. The ability of FEC as an additive to suppress alkoxide regeneration results in a smaller and thinner SEI layer that is more flexible towards lithium intercalation during the charging/discharging process. In addition, the presence of different oxygen functional groups at the surface of graphite dictates the oligomerization products and LiF formation in the SEI.

scholarly journals Effect of Fluoroethylene Carbonate Additive on the Initial Formation of Solid Electrolyte Interphase on Oxygen Functionalized Graphitic Anode in Lithium Ion Batteries

2020 ◽  
Author(s):  
Nadia Intan ◽  
Jim Pfaendtner
Keyword(s):  
Solid Electrolyte ◽  
Lithium Ion Batteries ◽  
Density Functional ◽  
Reaction Pathway ◽  
Ethylene Carbonate ◽  
Solid Electrolyte Interphase ◽  
Lithium Ion ◽  
Cell Decomposition ◽  
Ab Initio Molecular Dynamics ◽  
Fluoroethylene Carbonate

The formation of a solid electrolyte interphase (SEI) at the electrode/electrolyte interface substantially affects the stability and lifetime of lithium-ion batteries (LIBs). One of the methods to improve the lifetime of LIBs is by the inclusion of additive molecules to stabilize the SEI. To understand the effect of additive molecules on the initial stage of SEI formation, we compare the decomposition and oligomerization reactions of a fluoroethylene carbonate (FEC) additive on a range of oxygen functionalized graphitic anode to those of an ethylene carbonate (EC) organic electrolyte. A series of density functional theory (DFT) calculations augmented by ab-initio molecular dynamics (AIMD) simulations reveal that EC decomposition on an oxygen functionalized graphitic (1120) edge facet through an SN2 mechanism is spontaneous, even in an uncharged cell. Decomposition of EC through an SN2 reaction pathway results in alkoxide species regeneration which is responsible for continual oligomerization along the graphitic surface. In contrast, FEC prefers to decompose through an SN1 pathway, which does not promote alkoxide regeneration. The ability of FEC as an additive to suppress alkoxide regeneration results in a smaller and thinner SEI layer that is more flexible towards lithium intercalation during the charging/discharging process. In addition, the presence of different oxygen functional groups at the surface of graphite dictates the oligomerization products and LiF formation in the SEI.

TG-MS analysis of solid electrolyte interphase (SEI) on graphite negative-electrode in lithium-ion batteries

2006 ◽  
Vol 161 (2) ◽  
pp. 1275-1280 ◽  
Author(s):  
Liwei Zhao ◽  
Izumi Watanabe ◽  
Takayuki Doi ◽  
Shigeto Okada ◽  
Jun-ichi Yamaki
Keyword(s):  
Solid Electrolyte ◽  
Lithium Ion Batteries ◽  
Solid Electrolyte Interphase ◽  
Negative Electrode ◽  
Lithium Ion ◽  
Ms Analysis

The influence of formation temperature on the solid electrolyte interphase of graphite in lithium ion batteries

2020 ◽  
Vol 49 ◽  
pp. 335-338 ◽  
Author(s):  
Chong Yan ◽  
Yu-Xing Yao ◽  
Wen-Long Cai ◽  
Lei Xu ◽  
Stefan Kaskel ◽  
...  
Keyword(s):  
Solid Electrolyte ◽  
Lithium Ion Batteries ◽  
Solid Electrolyte Interphase ◽  
Lithium Ion ◽  
Formation Temperature
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