Abstract
Graphdiyne–ZnO composite is constructed to investigate field-emission. We hope the tip effect of graphdiyne can be strengthened by doping ZnO. We find that the effective movement of the Fermi level and the dwindling of band gap have contributed to the modification of the electronic structures of this composite significantly with increase in the electric field. The high binding energy indicates that the composite model is very stable. In addition, the ionization energies and work functions decrease linearly with the increasing electric field, which represents an improvement of field-emission properties. It implies that graphdiyne–ZnO composite may become a promising material for field-emission.
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