Enhancing the Glucose Sensing Properties of Silicene Through Transition Metal Doping: a DFT Investigation

Abstract

The attractive physiochemical properties of two dimensional materials demonstrate them to be an emerging class of potential candidates for use in sensing devices. Studies have shown that silicene can act as an excellent chemical sensor; however, no work has been studied about silicene as a glucose sensor. In this paper, using density functional theory, the interaction of pristine silicene and transition metal‐doped (Ag, Au, Cu, Ni, and Pt) silicene is studied with glucose molecules. The calculated adsorption energy, energy gap, and charge transfer value confirmed that the nickel‐doped silicene sheet can be a good glucose sensor with high sensitivity, moderate recovery time, and high conductivity. Further, the electron localization function and the reduced density gradient confirm the physisorption between the glucose molecule and the metal‐doped silicene sheets.