Organic redox flow batteries are currently the focus of intense scientific interest because they
have the potential to be developed into low-cost, environmentally sustainable solutions to …

Nonaqueous redox flow batteries have attracted recent attention with their potential for high
electrochemical storage capacity, with organic electrolytes serving as solvents with a wide …

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

New efficient redox flow batteries (RFBs) are currently of great interest for large-scale
storage of renewable energy. Further development requires the improvement of the redox …

Computational screening techniques have been found to be an effective alternative to the
trial and error of experimentation for discovery of new materials. With increased interest in …

Herein, we report half-peak potentials for over 180 organic substrates obtained via cyclic
voltammetry. These values are of great use in assessing the thermodynamics of an electron …

High-level density functional theory in combination with a continuum solvation model was
employed to compute standard redox potentials in solution phase for three different classes …

Due to the increased concern about energy and environmental issues, significant attention
has been paid to the development of large-scale energy storage devices to facilitate the …

An increasing number of electroactive compounds have recently been explored for their use
in high-performance redox flow batteries for grid-scale energy storage. Given the vast and …

Prediction of redox potentials is essential for catalysis and energy storage. Although density
functional theory (DFT) calculations have enabled rapid redox potential predictions for …