Loading Copper Atoms on Graphdiyne for Highly Efficient Hydrogen Production

Lan Hui, Yurui Xue, Huidi Yu, Chao Zhang, Bolong Huang (Corresponding Author), Yuliang Li

Research output: Journal article publicationJournal articleAcademic researchpeer-review

16 Citations (Scopus)


Graphdiyne, as a magical support, can anchor zero valence metal atoms, providing us with an opportunity to develop emerging catalysts with the maximized active sites and selectivity. Herein we report high-performance atom catalysts (ACs), Cu0/GDY, by anchoring Cu atoms on graphdiyne (GDY) for hydrogen evolution reaction (HER). The activity and selectivity of this catalyst are obviously superior to that of commercial 20 wt.% Pt/C, and the turnover frequency of 30.52 s−1 is 18 times larger than 20 wt.% Pt/C. Density functional theory (DFT) calculations demonstrate that the strong p-d coupling induced charge compensation leads to the zero valence state of the atomic-scaled transition metal catalyst. Our results show the strong advantages of graphdiyne-anchored metal atom catalysts in the field of electrochemical catalysis and opens up a new direction in the field of electrocatalysis.

Original languageEnglish
Pages (from-to)2145-2149
Number of pages5
Issue number19
Publication statusPublished - 2 Oct 2020


  • atom catalysts
  • carbon allotropes
  • graphdiyne
  • hydrogen production

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry

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