Nitrogen substituted graphdiyne as electrode for high-performance lithium-ion batteries and capacitors

Herein, pyridinic nitrogen substituted graphdiyne (PyN-GDY) is directly prepared on the surface of copper foil via a facile Glaser-Hay reaction. PyN-GDY comprises GDY-like hybridized sp2 and sp-carbon structures, meanwhile one of the C atom in the benzene ring is replaced by a pyridinic-N atom. Hence, the lithium (Li) atoms intercalated into the PyN-GDY framework can be stabilized due to the interaction between the Li atoms and the pyridinic-N, which can be further confirmed through theoretical analysis on the binding energy of complex containing Li and PyN-GDY. Moreover, the different arrangement of monomers during the preparation process formed plenty of hierarchical pores in the 2D plane, which would shorten the diffusion path and facilitate the delivery of Li-ions. Based on the unique pyridine N doping structure, PyN-GDY exhibits outstanding electrochemical performance with superior cycling stability when applied as electrode in Li-ion half batteries and Li-ion capacitors.