Theoretical Investigations on Oxidative Stability of Solvents and Oxidative Decomposition Mechanism of Ethylene Carbonate for Lithium Ion Battery Use

2009 ◽  
Vol 113 (52) ◽  
pp. 16596-16602 ◽  
Author(s):  
Lidan Xing ◽  
Weishan Li ◽  
Chaoyang Wang ◽  
Fenglong Gu ◽  
Mengqing Xu ◽  
...  
Keyword(s):  
Oxidative Stability ◽  
Lithium Ion Battery ◽  
Ethylene Carbonate ◽  
Lithium Ion ◽  
Decomposition Mechanism ◽  
Oxidative Decomposition ◽  
Theoretical Investigations

Fabrication of hybrid gel nanofibrous polymer electrolyte for lithium ion battery

2018 ◽  
Vol 32 (19) ◽  
pp. 1840066 ◽  
Author(s):  
Monali V. Bhute ◽  
Subhash B. Kondawar ◽  
Pankaj Koinkar
Keyword(s):  
Lithium Ion Battery ◽  
Polymer Electrolyte ◽  
Ethylene Carbonate ◽  
Gel Polymer Electrolyte ◽  
Rate Capability ◽  
Lithium Ion ◽  
Cycle Performance ◽  
High Porosity ◽  
Hybrid Gel ◽  
Electrolyte Uptake

Fibrous membranes are promising separators for high-performance lithium ion battery because of their high porosity and superior electrolyte uptake. In this paper, the fabrication of hybrid gel polymer electrolyte (HGPE) by introducing SnO2 nanoparticles in poly(vinylidine fluoride) by electrospinning technique and soaking the electrospun nanofibrous membranes in 1 M LiPF6 in ethylene carbonate (EC)/diethyl carbonate (DEC) (1:1, v/v). The as-prepared electrospun HGPE with SnO2 nanofiller was characterized by scanning electron microscopy. The influence of SnO2 on the structure of polymer membrane, physical, and electrochemical properties is systematically investigated. HGPE shows significant high ionic conductivity 4.6 × 10[Formula: see text] S/cm at room-temperature and better cell performance such as discharge C-rate capability and cycle performance. The hybrid gel polymer nanofibrous membrane favors high uptake of lithium electrolyte so that electrolyte leakage is reduced. The gel polymer electrolyte with SnO2 filler was used for the fabrication of Li/PVdF-SnO2/LiFePO4 coin cell. The fabricated cell was evaluated at a current density of 0.2 C-rate and delivered stable and excellent cycle performance. This study revealed that the prepared HGPE can be employed as potential electrolyte for lithium ion batteries.

Theoretical Insight into Oxidative Decomposition of Propylene Carbonate in the Lithium Ion Battery

2009 ◽  
Vol 113 (15) ◽  
pp. 5181-5187 ◽  
Author(s):  
Lidan Xing ◽  
Chaoyang Wang ◽  
Weishan Li ◽  
Mengqing Xu ◽  
Xuliang Meng ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
Propylene Carbonate ◽  
Lithium Ion ◽  
Oxidative Decomposition ◽  
Theoretical Insight ◽  
Insight Into

Oxidative stability and reaction mechanism of lithium bis(oxalate)borate as a cathode film-forming additive for lithium ion batteries

RSC Advances ◽  
2014 ◽  
Vol 4 (63) ◽  
pp. 33301-33306 ◽  
Author(s):  
Yating Wang ◽  
Lidan Xing ◽  
Xianwen Tang ◽  
Xiangfeng Li ◽  
Weishan Li ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Oxidative Stability ◽  
Lithium Ion Batteries ◽  
Reaction Path ◽  
Lithium Ion ◽  
Decomposition Reaction ◽  
Oxidative Decomposition ◽  
Film Forming

The most possible oxidative decomposition reaction path of EC–BOB−cluster.

New Insight into Electrochemical Differences in Cycling Behaviors of a Lithium-ion Battery Cell Between the Ethylene Carbonate- and Propylene Carbonate-Based Electrolytes

2011 ◽  
Vol 1313 ◽  
Author(s):  
Ken Tasaki ◽  
Alexander Goldberg ◽  
Jian-Jie Liang ◽  
Martin Winter
Keyword(s):  
Dft Calculations ◽  
Lithium Ion Battery ◽  
Propylene Carbonate ◽  
Salt Concentration ◽  
Density Functional ◽  
Ethylene Carbonate ◽  
Lithium Ion ◽  
Md Simulations ◽  
High Salt ◽  
Insight Into

ABSTRACTDensity functional theory (DFT) calculations and classical molecular dynamics (MD) simulations have been performed to gain insight into the difference in cycling behaviors between the ethylene carbonate (EC)-based and the propylene carbonate (PC)-based electrolytes in lithium-ion battery cells. DFT calculations for the ternary graphite intercalation compounds (Li+(S)iCn: S=EC or PC), in which the solvated lithium ion Li+(S)i (i=1~3) was inserted into a graphite cell, suggested that Li+(EC)iCn was more stable than Li+(PC)iCn in general. Furthermore, Li+(PC)3Cn was found to be energetically unfavorable, while Li+(PC)2Cn was stable, relative to their corresponding Li+(PC)i in the bulk electrolyte. The calculations also revealed severe structural distortions of the PC molecule in Li+(PC)3Cn, suggesting a rapid kinetic effect on PC decomposition reactions, as compared to decompositions of EC. In addition, MD simulations were carried out to examine the solvation structures at a high salt concentration: 2.45 mo kg-1. The results showed that the solvation structure was significantly interrupted by the counter anions, having a smaller solvation number than that at a lower salt concentration (0.83 mol kg-1). We propose that at high salt concentrations, the lithium desolvation may be facilitated due to the increased contact ion pairs, so that a stable ternary GIC with less solvent molecules can be formed without the destruction of graphite particles, followed by solid-electrolyte-interface film formation reactions. The results from both DFT calculations and MD simulations are consistent with the recent experimental observations.

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