Biomimetic anolyte for aqueous redox flow batteries

11 June 2019

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)

Newsletter

  • Check out more news items and research highlights.
    Why not explore AMS yourself with a free 30-day trial?
    Subscribe to our newsletter (~6 times a year) to keep up to date about news, job openings, functionality and events such as webinars and workshops!

A. Hollas, X. Wei, V. Murugesan, Z. Nie, B. Li, D. Reed, J. Liu, V. Sprenkle, W. Wang, A biomimetic high-capacity phenazine-based anolyte for aqueous organic redox flow batteries, Nature Energy 3, 508-514 (2018)

Key concepts