Benzo-dipteridine derivatives as organic cathodes for Li- and Na-ion batteries

Organic-based electrodes for Li- and Na-ion batteries present attractive alternatives to commonly applied inorganic counterparts which can often carry with them supply-chain risks, safety concerns with thermal runaway, and adverse environmental impact. The ability to chemically direct the structure of organic electrodes through control over functional groups is of particular importance, as this provides a route to fine-tune electrochemical performance parameters. Here, we report two benzo-dipteridine derivatives, BF-Me2 and BF-H2, as high-capacity electrodes for use in Li- and Na-ion batteries. These moieties permit binding of multiple Li-ions per molecule while simultaneously ensuring low solubility in the supporting electrolyte, often a precluding issue with organic electrodes. Both display excellent electrochemical stability, with discharge capacities of 142 and 182 mAh g–1 after 100 cycles at a C/10 rate and Coulombic efficiencies of 96% and ∼ 100% demonstrated for BF-Me2 and BF-H2, respectively. The application of a Na-ion cell has also been demonstrated, showing discharge capacities of 88.8 and 137 mAh g–1 after 100 cycles at a C/2 rate for BF-Me2 and BF-H2, respectively. This work provides an encouraging precedent for these and related structures to provide versatile, high-energy density, and long cycle-life electrochemical energy storage materials.