A computational study on the quantum transport properties of silicene–graphene nano-composites

Abstract

Graphene has been conjugated with Silicene which is a 2D nanosheet of silicon crystal to analyze myriad physico-chemical properties. Upon intercalation of silicene between two graphene nanosheets, there has been a significant shift in the energy of electronic configuration at different isovalues from − 0.12 to + 0.12. Similarly, by analyzing the electronic energy states of silicene–graphene–silicene, a range of isovalues from − 0.08 to + 0.08 were observed. I–V curve exhibited a linear response for graphene–silicene–graphene sandwiched structure and a semiconducting like behavior for silicene–graphene–silicene structure. Band gap measurement in case of graphene–silicene–graphene system is reported to be ~ 0.18 eV, which is a narrow region. While in case of silicene–graphene–silicene, a band gap value of ~ 1.01 eV is calculated that appears to be a pretty broad region. Transmission spectrum also shows intensity in peaks for Gr–Si–Gr case as compared to Si–Gr–Si combinations. Silicon is widely perceived to exhibit outstanding semiconducting behavior and has already been used in devising various electronic devices. In this present work, we try to analyze the outcome of the silicene and graphene at the nanometer scale in various combinations in a bid to understand the potential interaction mechanism between the two nanosheets which would help in the fabrication of the silicene–graphene based optoelectronic devices.