Unique structural advances of graphdiyne for energy applications

Different from other carbon allotropes, graphdiyne (GDY) features topological sp- and sp²-hybridized carbon atoms. With the unique structural advances, a charming electronic behavior has been presented by GDY, which has shown great improvement for various energy-related fields. Inspired by this, it is time to summarize the structure-induced property enhancement. Firstly, different stacking configurations in GDY can induce specific electronic properties, bringing promising energy application. Secondly, uniform pores provide enough sites for anchoring atoms and nanoparticles, enriching the diversity of materials. Thirdly, the sufficient alkynyl groups offer active sites for doping and grafting, providing possibilities for the precise design at the molecular level. Lastly, we propose some perspectives for future trends on GDY. Through this review, we hope to provide a guideline for rational design on GDY-based materials and reveal the structure-performance relationship between functionalized GDY and energy conversion/storage.