Adjustable electronic and optical properties of BlueP/MoS van der Waals heterostructure by external strain: a first-principles study.

Blue phosphorene (BlueP) has been widely researched recently as a potential material for novel photocatalytic and electronic devices. In this letter, due to its similar in-plane hexagonal lattice structure to MoS, BlueP/MoS van der Waals heterostructures were built in six configurations. The II-stacking configuration was the most stable due to the lowest binding energy obtained from the calculation results.