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• W4317505893 abstract "We investigate electronic transport properties of copper–graphene (Cu–G) composites using a density-functional theory (DFT) framework. Conduction in composites is studied by varying the interfacial distance of copper/graphene/copper (Cu/G/Cu) interface models. Electronic conductivity of the models computed using the Kubo–Greenwood formula shows that the conductivity increases with decreasing Cu–G distance and saturates below a threshold Cu–G distance. The DFT-based Bader charge analysis indicates increasing charge transfer between Cu atoms at the interfacial layers and the graphene with decreasing Cu–G distance. The electronic density of states reveals increasing contributions from both copper and carbon atoms near the Fermi level with decreasing Cu–G interfacial distance. By computing the space-projected conductivity of the Cu/G/Cu models, we show that the graphene forms a bridge to the electronic conduction at small Cu–G distances, thereby enhancing the conductivity." @default.
• W4317505893 created "2023-01-20" @default.
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• W4317505893 date "2023-01-16" @default.
• W4317505893 modified "2023-10-15" @default.
• W4317505893 title "Electronic transport in copper–graphene composites" @default.
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• W4317505893 doi "https://doi.org/10.1063/5.0137086" @default.
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