Redox-flow batteries are relevant to store energy from intermittent sources such as solar
panels or wind turbines, thereby smoothing their energy supply. Up to now, most redox-flow …

Development of non-aqueous redox flow batteries as a viable energy storage solution relies
upon the identification of soluble charge carriers capable of storing large amounts of energy …

A scheme to model the dependence of a solute redox potential on the supporting electrolyte
is proposed, and the results are compared to experimental observations and other reported …

Organic nonaqueous redox flow batteries (O-NRFBs) are promising energy storage devices
due to their scalability and reliance on sourceable materials. However, finding suitable …

Identification of new redox compounds is essential for the design of new improved redox-
flow batteries. Phenazines are a new class of organic compounds that have been recently …

High-throughput computational screening (HTCS) is an effective tool to accelerate the
discovery of active materials for Li-ion batteries. For the evaluation of organic cathode …

Redox flow batteries (RFBs) are a promising technology for stationary energy storage
applications due to their flexible design, scalability, and low cost. In RFBs, energy is carried …

We highlight the challenges and opportunities in organic redox flow battery research,
underscoring the need for collaborative research efforts. The synergy between computation …

Alloxazines are a promising class of organic electroactive compounds for application in
aqueous redox flow batteries (ARFBs), whose redox properties need to be tuned further for …

Conspectus All-atom methods treat solute and solvent at the same level of electronic
structure theory and statistical mechanics. All-atom computation of acidity constants (p K a) …