New structure canditates for the experimentally synthesized heptazine-based and triazine-based two dimensional graphitic carbon nitride

Luneng zhao, Xizhi Shi, Jin Li +5

The widely used crystal structures for both heptazine-based and triazine-based two-dimensional (2D) graphitic carbon nitride (g-C${}_3$N${}_4$) are the flat P-6m2 configurations. Howev…