Sep 20 – 25, 2026
University of Graz
Europe/Vienna timezone

Quantifying nanoscale electrochemical conversion through machine learning-assisted operando small-angle scattering

Sep 24, 2026, 6:00 PM
15m
HS 05.01 (University of Graz)

HS 05.01

University of Graz

05 - Physics, ground floor
3) Contributed talk NESY: Physics of Neutron and Synchrotron Radiation Sources Parallel

Speaker

Christian Prehal (Department of Chemistry and Physics of Materials, University of Salzburg, Jakob-Haringer-Straße 2a, 5020 Salzburg, Austria)

Description

Operando synchrotron and neutron techniques have become indispensable tools for resolving the structural and chemical complexity of electrochemical phase transformation in battery materials. In this talk, I present how operando SAXS/WAXS and SANS, combined with machine learning-assisted stochastic modelling, can quantify conversion mechanisms in post lithium-ion batteries at length scales difficult to access with other techniques.
The central focus is lithium-sulfur (Li-S) batteries, where the transformation between solid sulfur and solid lithium sulfide largely defines battery performance and can proceed through solid-liquid-solid, quasi-solid-state, or solid-state pathways depending on electrolyte and cathode composition. I present results tracking the growth and dissolution of solid deposits at nanometer scales across these different regimes [1-3]. Combined with cryo-transmission electron microscopy, the data show that the deposit consists of nanocrystalline Li₂S alongside smaller solid short-chain polysulfide particles. These findings inform strategies for controlling the reaction pathway in next-generation Li-S cells.
As a second example, I will discuss how related approaches apply to sodium-ion batteries, where hard carbon anode sodiation and desodiation mechanisms are resolved at the nanoscale. I will present preliminary work on active Bayesian learning for scattering-based quality control of hard carbon synthesis, with relevance to process optimisation in practical materials manufacturing.

References:
[1] C. Prehal, V. Wood et al., Nature Communications 2022, 6326
[2] J.-M. von Mentlen, C. Prehal et al., ACS Nano 2025 19, 16626
[3] P. Dutta, C. Prehal et al., ACS Energy Letters 2025, 10, 5722

Author

Christian Prehal (Department of Chemistry and Physics of Materials, University of Salzburg, Jakob-Haringer-Straße 2a, 5020 Salzburg, Austria)

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