Computational design of phenazine derivative molecules as redox-active electrolyte materials in alkaline aqueous organic flow batteries

作者：Wenfei Zhang, Yanli Chen, Tai-Rui Wu, Xue Xia, Juan Xu, Zhidong Chen, Jianyu Cao, De‐Yin Wu · 发表于：New Journal of Chemistry · 年份：2022 · DOI：10.1039/d2nj01769e · 被引用次数：10 · 研究领域：Advanced battery technologies research、Electrocatalysts for Energy Conversion、Electrochemical Analysis and Applications

DFT calculations are used to reveal the structure–property relationships of the redox potentials and solvation free energies of phenazine derivatives for alkaline aqueous organic flow batteries.