Analysis of energy gap opening in graphene oxide
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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.
Source:Journal of Physics: Conference Series, 2014, 526
- 4th International Conference on Theory, Modelling and Computational Methods for Semiconductor Materials and Nanostructures (TMCS), Jan 22-24, 2014, Univ Salford, Manchester, England