First-principles study on the strain-mediated g-CN/blue phosphorene heterostructures for promising photocatalytic performance.

Well-designed two-dimensional heterogeneous photocatalysts have attracted significant attention due to the enhancement in visible-light absorption and effective charge separation. In this paper, the electronic and optical properties of g-CN/BlueP (blue phosphorene) heterojunction under varying strains were investigated systematically by first-principles calculations. The results showed that the type transformation of g-CN/BlueP heterojunction can be achieved by suitable biaxial strain.