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• W2020897187 abstract "The size-dependence on the electronic and transport properties of the molecular devices of the edge-modified graphene nanoribbon (GNR) slices is investigated using density-functional theory and Green's function theory. Two edge-modifying functional group pairs are considered. Energy gap is found in all the GNR slices. The gap shows an exponential decrease with increasing the slice size of two vertical orientations in the two edge terminated cases, respectively. The tunneling probability and the number of conducting channel decreases with increasing the GNR-slices size in the junctions. The results indicate that the acceptor-donor pair edge modulation can improve the quantum conductance and decrease the finite-size effect on the transmission capability of the GNR slice-based molecular devices." @default.
• W2020897187 created "2016-06-24" @default.
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• W2020897187 date "2011-02-23" @default.
• W2020897187 modified "2023-10-14" @default.
• W2020897187 title "The finite-size effect on the transport properties in edge-modified graphene nanoribbon-based molecular devices" @default.
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• W2020897187 doi "https://doi.org/10.1002/jcc.21760" @default.
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