Computational study of the structure of ternary ionic liquid/salt/polymer electrolytes based on ionic liquids
Alejandro RIVERA-POUSA1, José Manuel OTERO-MATO1, Hadrián MONTES-CAMPOS1, Óscar CABEZA2, Andreas HEUER3,4, Diddo DIDDENS4, Luis Miguel VARELA1
1Grupo de Nanomateriais, Fotónica e Materia Branda, Departamento de Física de Partículas, Universidade de Santiago de Compostela, Campus Vida s/n E-15782, Santiago de Compostela, Spain
2Facultade de Ciencias, Universidade da Coruña, Campus A Zapateira s/n E-15008, A Coruña, Spain
3Institute of Physical Chemistry, University of Münster, Corrensstraße 28/30, 48149, Münster, Germany
4Helmholtz-Institute Münster (HI MS), Ionics in Energy Storage, Forschungszentrum Jülich GmbH, Corrensstraße 46, 48149, Münster, Germany
In this contribution [1] we study the structural properties of ternary systems based on ethylammonium acetate, lithium acetate and polyethylene glycol. The election of this ionic liquid (IL) was supported by computational studies of stability in various mixtures. We analyze a set of simulations that encompass a large range of lithium salt concentrations. We show that in this system the polymer acts as a mere matrix for the IL-salt mixtures without disturbing their properties. Therefore, these systems are promising candidates for applications in which mechanical rigidity is needed besides the convenient properties of a doped IL. We also indicate some novel results concerning the properties of these systems in the vicinity of an interface, specifically nanoconfined between graphene walls, which could act as battery electrodes or a capacitor.
REFERENCES
[1] Otero-Mato, J. M., Rivera-Pousa, A., Montes-Campos, H., Cabeza, O., Heuer, A., Diddens, D., and Varela, L. M. 2021. J. Mol. Liq., 333: 115883
Acknowledgements:
he financial support of the Spanish Ministry of Economy and Competitiveness (Projects MAT2017-89239-C2-1-P and MAT2017-89239- C2-2-P) is gratefully acknowledged. Moreover, this work was funded by the Xunta de Galicia (ED431D 2017/06, ED431E 2018/08, GRC ED431C 2016/001 and GRC ED431C 2020/10). All these research projects were partially supported by FEDER. J. M. O.-M., A. R-P. and H. M-C. thank the Spanish Ministry of Education for their FPU grants. A. H. and D. D. thank the German Federal Ministry of Education and Research for financial support through the FestBatt project (grant number 03XP0174B). Facilities provided by the Galician Supercomputing Centre (CESGA) are also acknowledged.