Exploitation of redox-active 1,4-dicyanobenzene and 9,10-dicyanoanthracene as the organic electrode materials in rechargeable lithium battery

•A new family of aromatic dicyanides was developed as the organic electrodes.•1,4-Dicyanobenzene (DCB) and 9.10-dicyanoanthracene (DCA) were studied.•DCA exhibits more stable reduced states and superior electronic conductivity.•DCA achieves reversible and step-by-step, two-electron process.

A new redox-active family of aromatic dicyanides was developed as organic electrodes in rechargeable batteries. The detailed electronic properties of two primary representatives of 1,4-dicyanobenzene (DCB) and 9,10-dicyanoanthracene (DCA) were studied. It is discovered that, as compared with DCB, the large aromatic π conjugation in DCA leads to better electron conductivity and more stable reduced states of DCA− and DCA2 −. The Li-ion batteries with DCA electrode are shown to have highly reversible operations.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (163 K)Download as PowerPoint slide