Fused ring and linking groups effect on overcharge protection for lithium-ion batteries.
The derivatives of 1,3-benzodioxan (DBBD1) and 1,4-benzodioxan (DBBD2) bearing two tert-butyl groups have been synthesized as new redox shuttle additives for overcharge protection of lithium-ion batteries. Both compounds exhibit a reversible redox wave over 4 V vs Li/Li{sup +} with better solubility in a commercial electrolyte (1.2 M LiPF{sub 6}) dissolved in ethylene carbonate/ethyl methyl carbonate (EC/EMC 3/7) than the di-tert-butyl-substituted 1,4-dimethoxybenzene (DDB). The electrochemical stability of DBBD1 and DBBD2 was tested under charge/discharge cycles with 100% overcharge at each cycle in MCMB/LiFePO{sub 4} and Li{sub 4}Ti{sub 5}O{sub 12}/LiFePO{sub 4} cells. DBBD2 shows significantly better performance than DBBD1 for both cell chemistries. The structural difference and reaction energies for decomposition have been studied by density functional calculations.
- Research Organization:
- Argonne National Laboratory (ANL)
- Sponsoring Organization:
- SC
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 1004057
- Report Number(s):
- ANL/MSD/JA-68981
- Journal Information:
- J. Power Sources, Journal Name: J. Power Sources Journal Issue: 3 ; Feb. 2011 Vol. 196; ISSN 0378-7753
- Country of Publication:
- United States
- Language:
- ENGLISH
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