Abstract
we have built the heterostructure with 2D materials C3N and BN capping on blue phosphorene. The geometric structure and electric structure of the heterostructures have been investigated by using first-principles computations. Calculated results indicate that the strong interaction exists between the two 2D materials due to the equilibrium interlayer distances in the range of 3.31 Å and 3.30 Å. Moreover, the 2D capping layers not only protect blue phosphorene from being oxidized, but also can improve the band structure of blue phosphorene.
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