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Vertically stacked two-dimensional (2D) graphene-based van der Waals (vdW)heterostructures have emerged as the technological materials for electronic andoptoelectronic device applications. In this regard, for the first time, wesystematically predicted the electronic and optical properties of CX/G (X = S,Se and Te; G = graphene) heterostructures under biaxial strain and spin orbitcoupling (SOC) by first-principles calculations. Strain is induced by applyingmechanical stress to the heterostructures, while SOC arises due to theinteraction between the electron spin and its orbital motion. The electronicproperty calculations reveal that all three heterostructures exhibit indirectsemiconducting nature with a narrow bandgap of 0.47-0.62 eV and remain indirectunder compressive and tensile strains. Strong band splitting of 78.4 meV hasbeen observed in the conduction band edge of CTe/G heterostructure in thepresence of SOC due to the lack of an inversion center attributed to the largehole effective mass. Under compressive strain, the p-type of Schottky contactof CX/G heterostructures is converted into p-type Ohmic contact because ofnearly negligible Schottky barrier height. Further, the optical propertyassessment reveals red and blue shifts in the absorption peak of CX/Gheterostructures with regard to tensile and compressive strains, respectively.Despite this, the CTe/G heterostructure achieves a remarkable high {\eta} of24.53% in the strain-free case whereas, it reaches to 28.31% with 4%compressive strain, demonstrating the potential for solar energy conversiondevice applications. Our findings suggest that CX/G heterostructures could bepromising candidates for high-performance optoelectronic devices.

Strain and spin orbit coupling effects on electronic and optical  properties of 2D CX/graphene (X = S, Se, Te) vdW heterostructure for solar  energy harvesting