Counterintuitive trends of the wetting behavior of ionic liquid-based electrolytes on modified lithium electrodes

作者: Paulo Schmitz , Martin Kolek , Diddo Diddens , Marian Cristian Stan , Kirsi Jalkanen

DOI: 10.1039/C7CP03716C

关键词:

摘要: The demand for high energy densities has brought rechargeable lithium metal batteries back into the research focus. Ionic liquids (ILs) are considered as suitable electrolyte components these systems. In this work, wetting behavior of 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide ([C2MIm]TFSI), 1-butyl-3-methylimidazolium bis-((trifluoromethyl)sulfonyl)imide ([C4MIm]TFSI), 1-hexyl-3-methylimidazolium ([C6MIm]TFSI), and N-butyl-N-methylpyrrolidinium (Pyr14TFSI) on mechanically modified electrodes, with without (LiTFSI) conducting salt, is investigated compared to an organic carbonate-based electrolyte. Three different patterns were chosen modification, enabling a surface area increase 12%, 20%, 56% electrodes. Especially pure ILs, contact angle was significantly larger higher areas Since addition LiTFSI remarkably decreased angles ILs surfaces, it could be shown that effect can attributed tension. This observation explained by interruption ordering ionic liquid cations anions, which supported Raman spectroscopy molecular dynamics (MD) simulations.

参考文章(64)
Paul T. Anastas, Handbook of green chemistry Wiley-VCH. ,(2009)
Carsten Kutzner, Erik Lindahl, Erik Lindahl, Szilárd Páll, Berk Hess, Mark James Abraham, Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS 2nd International Conference on Exascale Applications and Software (EASC), APR 02-03, 2014, Stockholm, Sweden. pp. 3- 27 ,(2015) , 10.1007/978-3-319-15976-8_1
J.-M. Tarascon, M. Armand, Issues and challenges facing rechargeable lithium batteries Nature. ,vol. 414, pp. 359- 367 ,(2001) , 10.1038/35104644
Miriam Kunze, Sangsik Jeong, Elie Paillard, Martin Winter, Stefano Passerini, Melting Behavior of Pyrrolidinium-Based Ionic Liquids and Their Binary Mixtures Journal of Physical Chemistry C. ,vol. 114, pp. 12364- 12369 ,(2010) , 10.1021/JP103746K
Wu Xu, Jiulin Wang, Fei Ding, Xilin Chen, Eduard Nasybulin, Yaohui Zhang, Ji-Guang Zhang, Lithium metal anodes for rechargeable batteries Energy and Environmental Science. ,vol. 7, pp. 513- 537 ,(2014) , 10.1039/C3EE40795K
In-Chul Yeh, Max L. Berkowitz, Ewald summation for systems with slab geometry Journal of Chemical Physics. ,vol. 111, pp. 3155- 3162 ,(1999) , 10.1063/1.479595
José N Canongia Lopes, Johnny Deschamps, Agílio AH Pádua, None, Modeling Ionic Liquids Using a Systematic All-Atom Force Field Journal of Physical Chemistry B. ,vol. 108, pp. 11250- 11250 ,(2004) , 10.1021/JP0362133
Jun-ichi Yamaki, Shin-ichi Tobishima, Katsuya Hayashi, Keiichi Saito, Yasue Nemoto, Masayasu Arakawa, A consideration of the morphology of electrochemically deposited lithium in an organic electrolyte Journal of Power Sources. ,vol. 74, pp. 219- 227 ,(1998) , 10.1016/S0378-7753(98)00067-6