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Graphene has been realized for its significant physico-chemical properties. The extraordinary surface area and high electronical conductivity of graphene makes it a potential candidate in the field of nanoelectronics and sensors. In this study, graphene has been conjugated with silicon and its different physical and chemical properties were evaluated. The total energy of the composite system came out to be −6111.62 eV. Chemical potential of the composite system exhibits ∼ 5.64 eV. DOS calculations for composite of silicon and graphene came out to be ∼ 17 eV−1 for the applied bias voltage of 40 eV, as when compared to higher values of DOS for monolayer silicon and graphene nanosheets. Silicon is widely known to exhibit semiconducting behavior and has already been used in fabricating various CMOS devices. In this present work, we try to study the outcome of the conjugation of graphene nanosheets with silicon nanosheets in different combinations. Understanding the interactions between two semiconducting materials could shed some light in the underlying physical and chemical interaction which would help in devising novel optoelectronic systems.

Elastic properties of a material dictate how much it will compress under extrinsic stress and determine the net stiffness of a material. In the present study, employing molecular dynamics simulation, calculation of the Young's modulus and its relation with elasticity of the material has been performed at different temperature ranges varying from 4oC (277 K) to 2227oC (2500 K). Metallic SWCNT (5, 5) and semiconductor SWCNT (7, 0) are selected as our experimental material. Gradual increase in temperature reduces rigidity and as well as decreases elasticity of the pristine nanotubes as evident from the gradual decrease in the Young's modulus value. But Stone-Wales defect induced SWCNT retains the rigidity of the nanotubes even at higher temperature as evident from higher Young's modulus value. Understanding the stress-strain relation at different temperature ranges for SWCNT would help us in exploring its mechanical properties and in turn designing devices of ultra-high stiffness at higher temperature, finding its applications from aerospace to medical diagnostics.