Bonn 2025 – wissenschaftliches Programm
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Q: Fachverband Quantenoptik und Photonik
Q 71: Quantum Control II (joint session QI/Q)
Q 71.1: Vortrag
Freitag, 14. März 2025, 11:00–11:15, HS II
Optimally Controlled NMR in Electrochemistry: Overcoming Challenges and Turning Them into Opportunities — •Armin J. Römer1,2, Johannes F. Kochs1,2, Michael Schatz1, Matthias Streun1, Simone S. Köcher1,3, and Josef Granwehr1,2 — 1Forschungszentrum Jülich GmbH, Institute of Energy Technologies, Fundamental Electrochemistry (IET-1), Jülich, Germany — 2RWTH Aachen University, Aachen, Germany — 3Fritz Haber Institute of the Max Planck Society, Berlin, Germany
Quantum optimal control is a versatile, powerful method to tailor nuclear magnetic resonance (NMR) experiments. With the growing importance of NMR on electrochemical systems, we present how optimal control can be used to address experimental challenges in complex setups, such as operando electrolysis. Particularly, conductive cell components cause magnetic field distortions due to shielding and eddy current effects, leading to reduced resolution, non-quantitative results, and possible artifacts. In a complementary approach, we combine ensemble optimal control with finite element method (FEM) simulations. We show how NMR setups are accurately modeled in FEM and how this knowledge is used to improve NMR measurements on an operando electrolysis setup. Furthermore, we demonstrate how an NMR measurement can be turned surface selective by exploiting the characteristic near-surface magnetic field distortions. We demonstrate how quantum optimal control enables new experiments, which provide additional information and insights of unparalleled detail into complex systems.
Keywords: Ensemble Quantum Optimal Control; Magnetic Resonance; Finite Element Method; operando Electrolysis