Triazole–thiophene-based organic anode materials: a new approach for lithium-ion battery performance enhancement

Abstract This study explores the use of organic compounds with triazole and thiophene units as anode materials in lithium-ion batteries (LIBs) for the first time in the literature. The triazole group, being electron-deficient, and the thiophene groups, electron-rich, form a donor–acceptor framework that enhances electron conductivity and storage capacity. The porous nature of these conjugated frameworks facilitates lithium-ion insertion and extraction, which is vital for reversible lithium storage. When combined with conductive carbon materials, the electrochemical performance of these organic compounds is significantly improved, with carbon enhancing electrical conductivity and ensuring adherence to current collectors. The initial discharge capacities of the organic compounds DTT1, DTT2, and DTT3 were 817 mAh g ⁻¹ , 678 mAh g ⁻¹ , and 915 mAh g ⁻¹ , respectively, compared to the reference graphite electrode at 100 mA g ⁻¹ . DTT3 exhibited superior initial capacity, rate performance, and cycling stability. After 100 cycles at a high current rate (1500 mA g ⁻¹ ), DTT3 showed the best retention capacity of 72%, outperforming DTT1 (72%), DTT2 (69%), and graphite (49%). These results demonstrate that organic materials, particularly DTT3, offer a promising alternative to conventional graphite anodes for high-performance LIBs.