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Data for Identifying the components of the solid–electrolyte interphase in Li-ion Batteries
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Wang, Luning, Menakath, Anjali, Han, Fudong, Zavalij1, Peter Y., Brown, Steven P., Iuga, Dinu, Wang, Chunsheng, Xu, Kang and Eichhorn1, Bryan W. (2019) Data for Identifying the components of the solid–electrolyte interphase in Li-ion Batteries. [Dataset]
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Archive (ZIP) (Raw data file from the solid- state NMR experiments and CASTEP calculations)
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Office Document (DOCX) (Readme file)
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Official URL: https://wrap.warwick.ac.uk/120226
Abstract
The importance of the solid–electrolyte interphase (SEI) for reversible operation of Li-ion batteries has been well established, but the understanding of its chemistry remains incomplete. The current consensus on the identity of the major organic SEI component is that it consists of lithium ethylene di-carbonate (LEDC), which is thought to have high Li-ion conductivity, but low electronic conductivity (to protect the Li/C electrode). Here, we report on the synthesis and structural and spectroscopic characterizations of authentic LEDC and lithium ethylene mono-carbonate (LEMC). Direct comparisons of the SEI grown on graphite anodes suggest that LEMC, instead of LEDC, is likely to be the major SEI component. Single-crystal X-ray diffraction studies on LEMC and lithium methyl carbonate (LMC) reveal unusual layered structures and Li+ coordination environments. LEMC has Li+ conductivities of >1 × 10−6 S cm−1, while LEDC is almost an ionic insulator. The complex interconversions and equilibria of LMC, LEMC and LEDC in dimethyl sulfoxide solutions are also investigated.
| Item Type: | Dataset | |||||||||||||||||||||
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| Subjects: | Q Science > QD Chemistry T Technology > TK Electrical engineering. Electronics Nuclear engineering |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | |||||||||||||||||||||
| Type of Data: | Experimental data and CASTEP calculations | |||||||||||||||||||||
| Library of Congress Subject Headings (LCSH): | Electrolytes -- Conductivity, Lithium cells, Lithium ion batteries | |||||||||||||||||||||
| Publisher: | University of Warwick, Department of Physics | |||||||||||||||||||||
| Official Date: | 2 July 2019 | |||||||||||||||||||||
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| Status: | Not Peer Reviewed | |||||||||||||||||||||
| Publication Status: | Published | |||||||||||||||||||||
| Access rights to Published version: | Open Access (Creative Commons) | |||||||||||||||||||||
| Copyright Holders: | University of Warwick | |||||||||||||||||||||
| Description: | Files contain raw data file from the solid- state NMR experiments and CASTEP calculations |
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| Date of first compliant deposit: | 2 July 2019 | |||||||||||||||||||||
| Date of first compliant Open Access: | 28 August 2019 | |||||||||||||||||||||
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