Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives

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Date
2014-11-15
Authors
Bhatt, Mahesh Datt
O'Dwyer, Colm
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Elsevier
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Abstract
Density functional theory is used to investigate the reactivity, reduction and effect of electrolyte additives such as fluoroethylene carbonate (FEC), lithium bis(oxalate) borate (LiBOB) and lithium difluoro(oxalato) borate (LiDFOB) in propylene carbonate (PC)-based Li-ion battery electrolytes. The structural, thermodynamical and calculated infra-red vibrational analyses indicate that FEC additives reduce prior to PC, providing stable SEI film formation near the graphite anode. The reduction and reaction mechanisms of LiBOB and LiDFOB influence the SEI film composition at the graphite surface. These additives contribute to stable SEI film formation without degradation of the anode structure by PC co-intercalation.
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Keywords
Lithium batteries , Lithium-ion batteries , Carbonation , Density functional theory , Electric batteries , Electrodes , Electrolytes , Graphite , Lithium , Propylene , Seebeck effect , Solid electrolytes , Anodes
Citation
Bhatt, M. D. and O’Dwyer, C. (2015) 'Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives', Chemical Physics Letters, 618, pp. 208-213. doi: 10.1016/j.cplett.2014.11.018