Enhancement of electronic and optical characteristics of graphene by doping with transition metals – DFT method

Abstract

Graphene has many outstanding properties, including optical transparency, electrical conductivity, mechanical toughness, and thermal conductivity. Besides these best properties, the issue with single-layer graphene is that a bandgap is required for many applications. Several research projects focused on the interaction between graphene and doped transition metals. In our present work, the electronic and optical characteristics of graphene doped with transition metals such as Ag, Au, Cu, Ni, and Pt have been studied. Density functional theory has been used to examine the variation in the structural, optical, and electronic properties of the doped systems. These properties have been enhanced due to the doping of metal atoms. Our study concludes that metal doped graphene can be used to create innovative materials by adjusting and strengthening graphene's electrical and optical properties for a variety of applications, including energy storage devices, wearable electronics, optoelectronics, solar cells, and sensors.