A solution for scalable-flow batteries: Flow batteries, in which the redox active components are held in tanks separate from the active part of the cell, offer a scalable route for storing large quantities of energy. A challenge for their large-scale development is to avoid formulations that depend on toxic transition metal ions. Lin et al. show that quinones can be dissolved in alkaline solutions and coupled with ferricyanides to make a flow cell battery (see the Perspective by Perry). This gives scope for developing flow cells with very low costs, high efficiencies at practical power densities, simplicity of operation, and inherent safety. Science , this issue p. 1529 ; see also p. 1452

Inspired by the electron transfer properties of quinones in biological systems, we recently showed that quinones are also very promising electroactive materials for stationary energy storage applications. Due to the practically infinite chemical space of organic molecules, the discovery of additional quinones or other redox-active organic molecules for energy storage applications is an open field of inquiry. Here, we introduce a high-throughput computational screening approach that we applied to an accelerated study of a total of 1710 quinone (Q) and hydroquinone (QH₂) (i.e., two-electron two-proton) redox couples. We identified the promising candidates for both the negative and positive sides of organic-based aqueous flow batteries, thus enabling an all-quinone battery. To further aid the development of additional interesting electroactive small molecules we also provide emerging quantitative structure-property relationships.