Biomimetic anolyte for aqueous redox flow batteries

Nmr redoxflow

In two Nature Energy papers, ADF was used to help understand the experiments in an effort to make better Li-ion (non-flammable electrolytes, see paper) and redox flow batteries.

The redox flow battery paper focused on getting a water-soluble, high reversible capacity electrolyte. Phenazine-based compound proved very promising and DFT calculations helped predict their solvation energies, redox behavior and NMR signatures.

electrolyte electrostatic potential & NMR shifts
Electrostatic potential of phenazine-based compounds (top) and calculated NMR shifts in deprotonated DHPS (bottom)
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