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

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.

Mechanical robustness of composite electrode for lithium ion battery: Insight into entanglement & crystallinity of polymeric binder

2020 ◽  
Vol 332 ◽  
pp. 135471 ◽  
Author(s):  
Seoungwoo Byun ◽  
Jaecheol Choi ◽  
Youngjoon Roh ◽  
Danoh Song ◽  
Myung-Hyun Ryou ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
Composite Electrode ◽  
Lithium Ion ◽  
Polymeric Binder ◽  
Insight Into

Propylene carbonate-nitrile solvent blends for thermally stable gel polymer lithium ion battery electrolytes

2020 ◽  
Vol 478 ◽  
pp. 229047 ◽  
Author(s):  
Christian Hans Krause ◽  
Philipp Röring ◽  
Hitoshi Onishi ◽  
Diddo Diddens ◽  
Johannes Helmut Thienenkamp ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
Propylene Carbonate ◽  
Lithium Ion ◽  
Thermally Stable ◽  
Solvent Blends

scholarly journals An insight into the errors and uncertainty of the lithium-ion battery characterisation experiments

2019 ◽  
Vol 24 ◽  
pp. 100761 ◽  
Author(s):  
James Taylor ◽  
Anup Barai ◽  
T.R. Ashwin ◽  
Yue Guo ◽  
Mark Amor-Segan ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
Lithium Ion ◽  
Insight Into

Corrigendum to “Insight into cobalt-doping in Li2FeSiO4 cathode material for lithium-ion battery” [J. Power Sources 274C (2014) 194–202]

2015 ◽  
Vol 278 ◽  
pp. 826-827 ◽  
Author(s):  
Lu-Lu Zhang ◽  
Song Duan ◽  
Xue-Lin Yang ◽  
Gan Liang ◽  
Yun-Hui Huang ◽  
...  
Keyword(s):  
Cathode Material ◽  
Lithium Ion Battery ◽  
Lithium Ion ◽  
Cobalt Doping ◽  
Power Sources ◽  
Insight Into

Insight into cobalt-doping in Li2FeSiO4 cathode material for lithium-ion battery

2015 ◽  
Vol 274 ◽  
pp. 194-202 ◽  
Author(s):  
Lu-Lu Zhang ◽  
Song Duan ◽  
Xue-Lin Yang ◽  
Gan Liang ◽  
Yun-Hui Huang ◽  
...  
Keyword(s):  
Cathode Material ◽  
Lithium Ion Battery ◽  
Lithium Ion ◽  
Cobalt Doping ◽  
Insight Into
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