Effects of gold nanoparticles (Au-NPs) on the electrical properties of reduced graphene oxide: An experimental and DFT study

摘要

In this study, the electronic and electrical properties of the reduced graphene oxide functionalized with gold nanoparticles (rGO:Au-NPs) are explored using experimental and density functional theory (DFT) calculations. The electrical conductivity of rGO:Au-NPs composite results in high conductivity for low concentration of Au-NP and lower conductivity when the concentration of Au-NP was high. The increase in the conductivity is attributed to electron transition as rGO aligns towards single crystallinity, whereas decrease in the conductivity is attributed to electron hopping due to a change in grain size boundary resulting from rGO functionalization. The DFT studies show charge redistribution and transfer of electrons between C, O and Au atoms in the electronic structure of GO:Au composite matrix. Based on the DFT studies, the electrical properties of rGO:Au composite can be attributed to the charge transport interactions between C 2p, O 2p, and Au 5d orbital states.