New insights into phenazine-based organic redox flow batteries by using high-throughput DFT modelling
Carlos De La Cruz, Antonio Manuel Pozo Molina, Nagaraj Patil, Edgar Ventosa, Rebeca Marcilla, Andreas Mavrandonakis
Abstract
DFT calculations reveal interesting structure–property relationships of the redox potentials of phenazines in non-aqueous media.
Topics & Concepts
RedoxPhenazineThroughputFlow (mathematics)ChemistryChemical engineeringMaterials scienceCombinatorial chemistryComputer scienceInorganic chemistryOrganic chemistryEngineeringPhysicsMechanicsTelecommunicationsWirelessAdvanced battery technologies researchElectrocatalysts for Energy ConversionAdvanced Battery Technologies Research