Functionalized Triazine-Based Small Molecules as Efficient Battery Anode Materials

Leveraging the remarkable structural versatility and chemical robustness of triazine frameworks, we synthesized two novel triazine-based derivatives─pOMeAni and pOMe2CN─and explored their potential as high-performance anode materials for lithium-ion batteries (LIBs). To investigate the effect of the active material content, electrodes with two different loadings (20 and 40%) were evaluated. The electrochemical performance showed that the triazine-based anodes exhibited a high specific capacity of up to 459 mA h g^–1 at 100 mA g^–1 after 100 cycles with nearly 99% Coulombic efficiency. Interestingly, the triazine-based anodes show excellent rate capability and cycling stability at a high current density of 2000 mA g^–1 up to 2000 cycles with a peak capacity of 445 mA h g^–1. The high current and long-term operation of the triazine-based anode outperformed the commercial graphite-based anode, emphasizing its potential as an alternative anode of LIBs. Furthermore, the mechanistic and kinetic studies on the triazine-based anode reveal structure/performance relationships that shine light on the structural design of high-performance anode materials. These results not only highlight the immense lithium storage potential of triazine derivatives but also open new avenues for the design of next-generation organic electrode materials in sustainable energy storage systems.