Acta Phys. -Chim. Sin. ›› 2016, Vol. 32 ›› Issue (6): 1314-1329.doi: 10.3866/PKU.WHXB201605035

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Structure of 2D Graphdiyne and Its Application in Energy Fields

Chang-Shui HUANG1,*(),Yu-Liang LI2,*()   

  1. 1 Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101,Shandong Province, P. R. China
    2 Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China
  • Received:2016-02-26 Published:2016-06-03
  • Contact: Chang-Shui HUANG,Yu-Liang LI;
  • Supported by:
    the National Basic Research 973 Program of China(2012CB932901);the “100 Talents” Program of the Chinese


This paper focuses on application of graphdiyne (GDY) in both energy storage and conversion fields, including the most recent theoretical and experimental progress. The unique three-dimensional pore structure formed by stacking of the GDY layer, make it possess the natural advantage which can be applied to lithium storage and hydrogen storage. Because of its lithium storage ability, GDY can be used in energy storage devices, such as lithium ion batteries and lithium ion capacitors. While with the hydrogen storage property, GDY can be used as a hydrogen storage material in fuel cells. By doping method, the performance of GDY for lithium and hydrogen storage can be further improved. Owing to acetylene units composed of sp hybridized carbon atoms and benzene rings composed of sp2 hybridized carbon atoms, GDY possesses multiple conjugated electronic structures. Thus, its band gap can be regulated through many ways accompanied with existence of Dirac cones. This property means that GDY can not only be used as a high-activity non-metal catalyst in place of noble metal catalysts in photocatalysis, but it also plays a promotional role in the hole transport layer and electron transport layer of solar cells. All of the reported results including theoretical and experimental data reviewed here, show the great potential of GDY in energy field applications.

Key words: Graphdiyne, Lithium storage, Hydrogen storage, Catalysis, Solar cell