Journal Article

IMPULSE-2026-00054

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Temperature-Resolved Crystal Structure of Ethylene Carbonate

Westphal, L.MLZ* ; Kochetov, V.MLZ* ; Baran, V. ; Hoelderle, T.MLZ* ; Avdeev, M. ; Diadkin, V. ; Marshall, K. ; Schökel, A. ; Opri, K. ; Niewa, R. ; Porcher, F. ; Müller-Buschbaum, P.MLZ* ; Senyshyn, A. (Corresponding author)MLZ*

2025
Soc. Washington, DC

Please use a persistent id in citations: doi:10.1021/acs.jpcc.4c08421

Abstract: Ethylene carbonate (EC) is an organic solvent of the class of carbonate esters, which is used in state-of-the-art Li-ion batteries as part of the electrolyte mixture, being primarily responsible for the formation of a solid electrolyte interface. 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.

Keyword(s): Energy (1st) ; Condensed Matter Physics (2nd)

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Contributing Institute(s):

1. SPODI (SPODI)

Experiment(s):

1. SPODI: High resolution powder diffractometer (SR8a)

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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