We describe and evaluate a method for computationally predicting reduction potentials of a
diverse group of organic molecules by linearly correlating calculated lowest unoccupied …

Electrochemical characterization of redox-active molecules in solution requires exploration
of manifold conditions (eg, concentration, electrolyte type, pH, ionic strength), leading to …

Development of novel approaches for designing advanced energy storage devices
generally requires a fundamental understanding of the atomic structure of and processes in …

Redox-flow batteries are an emerging energy storage technology that can pair with
intermittent renewable energy technologies. There remains a need, however, to understand …

Ionic conductivity in liquid electrolytes depends on molecular interactions dictating the
relative populations and behaviors of stoichiometric ion solvation clusters. However, the …

In this combined computational and experimental study, specific chemical interactions
affecting the prediction of one-electron and two-electron reduction potentials for …

We have developed a 0D model of aqueous organic redox flow battery to have a better
understanding of the impact of oxygen and hydrogen evolution as a parasitic side reaction …

The volumetric capacities and the lifetime of organic redox flow batteries (RFBs) are strongly
dependent on the concentrations of the redox-active molecules in the electrolyte. Single …

Conspectus Redox flow batteries (RFBs) represent a promising modality for electrical
energy storage. In these systems, energy is stored via paired redox reactions of molecules …

Biredox ionic liquids are a new class of functionalized electrolytes that may play an
important role in future capacitive energy storage devices. By allowing additional storage of …