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Spectroscopic and C...
Spectroscopic and Computational Study of Boronium Ionic Liquids and Electrolytes
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- Clarke-Hannaford, Jonathan (författare)
- RMIT University,Commonwealth Scientific and Industrial Research Organisation (CSIRO)
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- Breedon, Michael (författare)
- Commonwealth Scientific and Industrial Research Organisation (CSIRO)
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- Rüther, Thomas (författare)
- Commonwealth Scientific and Industrial Research Organisation (CSIRO)
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- Johansson, Patrik, 1969 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Spencer, Michelle J.S. (författare)
- RMIT University
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(creator_code:org_t)
- 2021-08-03
- 2021
- Engelska.
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Ingår i: Chemistry - A European Journal. - : Wiley. - 1521-3765 .- 0947-6539. ; 27:50, s. 12826-12834
- Relaterad länk:
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https://doi.org/10.1...
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https://research.cha...
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Abstract
Ämnesord
Stäng
- Boronium cation-based ionic liquids (ILs) have demonstrated high thermal stability and a >5.8 V electrochemical stability window. Additionally, IL-based electrolytes containing the salt LiTFSI have shown stable cycling against the Li metal anode, the “Holy grail” of rechargeable lithium batteries. However, the basic spectroscopic characterisation needed for further development and effective application is missing for these promising ILs and electrolytes. In this work, attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and density functional theory (DFT) calculations are used in combination to characterise four ILs and electrolytes based on the [NNBH2]+ and [(TMEDA)BH2]+ boronium cations and the [FSI]− and [TFSI]− anions. By using this combined experimental and computational approach, proper understanding of the role of different ion-ion interactions for the Li cation coordination environment in the electrolytes was achieved. Furthermore, the calculated vibrational frequencies assisted in the proper mode assignments for the ILs and in providing insights into the spectroscopic features expected at the interface created when they are adsorbed on a Li(001) surface. A reproducible synthesis procedure for [(TMEDA)BH2]+ is also reported. The fundamental findings presented in this work are beneficial for any future studies that utilise IL based electrolytes in next generation Li metal batteries.
Ämnesord
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Nyckelord
- ionic liquids
- lithium metal anodes
- lithium batteries
- IR spectroscopy
- density functional theory calculations
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
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