Three-Dimensional-Printed Device for In Situ Monitoring of an Organic Redox-Flow Battery via NMR/MRI

Area of Science:

• Electrochemistry
• Materials Science
• Spectroscopy

Background:

• Organic redox-flow batteries are crucial for energy storage.
• Real-time monitoring of battery cycling is essential for understanding performance.
• Nuclear magnetic resonance (NMR) is a powerful tool for molecular analysis.

Purpose of the Study:

• To develop a compact, pluggable organic redox-flow battery integrated with an NMR probehead.
• To investigate the real-time redox cycling of 9,10-anthraquinone-2,7-disulfonic acid disodium salt (2,7-AQDS) in acidic media.
• To elucidate the molecular mechanisms governing the charge and discharge processes.

Main Methods:

• 3D printing for battery construction.
• High-resolution NMR spectroscopy for in-situ monitoring.
• Quantum chemical, multilevel modeling for thermodynamic property determination.

Main Results:

• Successful conception and construction of a 3D-printed mini organic redox-flow battery.
• Real-time monitoring of 2,7-AQDS redox cycling, revealing the significant role of dimerization.
• Confirmation of homo- and heterodimer formation during redox processes through thermodynamic modeling.

Conclusions:

• The developed 3D-printed battery is suitable for advanced spectroscopy and imaging experiments.
• Dimerization is a key factor in the oxidation and reduction of 2,7-AQDS.
• Multilevel modeling accurately predicts the thermodynamic properties of dimer formation, validating the observed molecular processes.