SKM 2023 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 42: Battery Materials (joint session KFM/CPP)
CPP 42.9: Vortrag
Donnerstag, 30. März 2023, 11:55–12:15, POT 51
Sodium diffusion mechanism in NASICON solid electrolyte materials studied via quasi-elastic neutron scattering — •Ivana Pivarníková1,2, Stefan Seidlmayer1, Martin Finsterbusch3, Gerald Dück3, Niina Jalarvo4, Peter Müller-Buschbaum1,2, and Ralph Gilles1 — 1TUM, MLZ, Garching, Germany — 2TUM School of Natural Sciences, Chair for Functional Materials, Garching, Germany — 3FZJ, IEK-1, Jülich, Germany — 4ORNL, Oak Ridge, TN, USA
The sodium superionic conductor materials, also known as NASICON, have been a widely studied class of solid electrolytes for Na-ion based all-solid-state batteries. The aim of this work is to clarify the reason for extremely high conductivity exhibited by Na1+xZr2SixP3-xO12 (0-x-3) and to explain the role of the monoclinic to rhombohedral phase transition for the material with x=2.4, which supposedly occurs at around 170°C. We also investigate the overall temperature dependence of the ionic conductivity in the temperature range of 297-640K. The quasi-elastic neutron scattering (QENS) is used to measure the spatial and temporal dynamic properties of diffusion of Na-ions in the crystal structure. The Na-ion diffusion mechanism can be described by the right choice of the diffusion model. Important parameters, such as diffusion coefficients, activation energies, jump distances between the occupation sites and residence times are extracted from the measured and modelled QENS data. Temperature dependent X-ray diffraction data have been obtained and analysed in order to confirm the results obtained from the QENS data.