Graphdiyne (GDY) based materials are carbon allotrope with 2D planer structure composed of diacetylene bonds (sp) and sp2 hybridized carbons. The unique geometrical and electronic structure make them excellent in electrochemical properties. The larger specific surface area and ion diffusion channels in pores can provide more storage sites for alkali metal ions and increase the diffusion rate of electrons and ions. Hence, they possess broad prospects in electrochemical energy storage and have gained more favor as anode materials for alkali ion batteries. Here, we have made a systematic summary on GDY-based materials and their derivatives, including the geometrical and electronic structures, synthesis, modifications, storage mechanisms of Li+/Na+/K+, along with the applications in Li+/Na+/K+ batteries. In view of the current situation, the large-scale application of GDY-based materials as anode in alkali ion batteries is still a greater challenge. We hope that this work can provide a theoretical basis for the GDY-based materials with superior performance, more convenient and safer preparation, and higher yield.

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