Abstract
The utilisation of graphene structures as photonics materials mandates that an optically active electronic energy gap be formed. Opening of a gap in graphene has been demonstrated by functionalisation with H, F, or O atoms, while experimental observations of graphene oxide have hinted at interesting optical properties, with the potential for absorption of visible light. As such, our analysis is focused on O functionalisation of graphene. We present results from extensive ab initio and hybrid DFT calculations, demonstrating the creation of an optically active gap.
Highlights
Graphene, owing to its many unique and novel properties, has drawn considerable attention at the prospect that it can be applied to composite materials and generation nanoelectronics and photonics devices [1]
We investigate the optical properties of epoxy-functionalised graphene by means of ab intio and hybrid density functional theory (DFT) calculations
Our results show that this functionalisation opens a wide and optically active band gap
Summary
Graphene, owing to its many unique and novel properties, has drawn considerable attention at the prospect that it can be applied to composite materials and generation nanoelectronics and photonics devices [1]. We investigate the optical properties of epoxy-functionalised graphene by means of ab intio and hybrid density functional theory (DFT) calculations. Our results show that this functionalisation opens a wide and optically active band gap.
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