Dresden 2026 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 4: Energy Storage Materials and Devices I
CPP 4.2: Talk
Monday, March 9, 2026, 10:00–10:15, ZEU/0255
Temperature-dependent Crystal Structure of Dimethyl Carbonate — •Lea Westphal1,2, Peter Müller-Buschbaum1, and Anatoliy Senyshyn2 — 1TUM School of Natural Sciences, Chair for Functional Materials, Garching, Germany — 2MLZ, TUM, Garching, Germany
The performance and safety/stability of Li-ion batteries (LIBs) can be enhanced by optimizing the charge-storing electrode materials and/or the charge-mediating liquid electrolytes. In LIB research, the major focus has been on the electrode subsystem, while liquid electrolytes are studied much less. Upon cooling of LIBs to investigate their performance at low temperatures, a series of Bragg reflections has been observed, which was assigned to the freezing of liquid electrolyte. Further measurements reveal the development of long-range order in the model electrolyte mixture LP30. To better understand this emerging order, it is essential to investigate the system’s individual components, especially under conditions near room temperature relevant to in situ sub-ambient LIB studies.
This contribution outlines our efforts to crystallize Dimethyl Carbonate with minimized preferred orientation, in order to study the unit cell across the entire solid temperature range using neutron- and synchrotron-based powder diffraction. The datasets are complemented by synchrotron single-crystal diffraction experiments. Additionally, the liquid state is investigated by Total Scattering and Pair Distribution Function analysis.
Keywords: Liquid Electrolyte; Deuterated Material; Powder Diffraction; Total Scattering