Le carbonate d’éthylène (EC) est un solvant organique appartenant à la classe des esters de carbonate. Il est utilisé dans les batteries lithium-ion de dernière génération au sein du mélange électrolytique, où il joue un rôle essentiel dans la formation de l’interface électrolyte-solide.
Abstract:
Thermal analysis showed that the sample’s melting point is 309 K. The crystal structure of EC is investigated using powder diffraction in a temperature range from 3 K up to its melting point, using neutron- and synchrotron-based radiation. Over the whole temperature range, the sample shows single-phase behavior with the space group being C2/c (No. 15), and given the detailed temperature dependence of the structural evolution, thermodynamic and mechanical properties of solid EC are studied. The local structure in both solid and liquid states was additionally investigated by total scattering diffraction and analysis of the pair distribution function. The results obtained are discussed in line with those of molecular dynamics simulations.
Temperature-Resolved Crystal Structure of Ethylene Carbonate,
Lea Westphal, Vladislav Kochetov, Volodymyr Baran, Tobias Hölderle, Maxim Avdeev, Vadim Diadkin, Kenneth Marshall, Alexander Schökel, Klaudia Opri, Rainer Niewa, Florence Porcher, Peter Müller-Buschbaum, Anatoliy Senyshyn* J. Phys. Chem. C 2025, 129, 25, 11546–11553