Chemical Communications · 2011 · 37 citations · 19 references
Natural SciencesChemistryMaterials ScienceMolecular PhysicsSurface ScienceTransport PhenomenaElectronic Transport ModelingOrganic SemiconductorsConductivity In NanomaterialsDifferential ResistanceLocalized Molecular OrbitalsMolecular Transport At InterfacesMonolayersOpen-shell ConfigurationsSelf-assembled MonolayersTransport Mechanisms
The transport characterization of self-assembled monolayers (SAMs) based on the closed and open-shell forms of a fully conjugated polychlorotrimethylphenyl (PTM) derivative hybridized with the gold substrate reveals that both systems exhibit negative differential resistance (NDR) in their I-V curves which was attributed to similar resonant tunnelling with unoccupied molecular orbitals. This work demonstrates that distinct transport mechanisms can dominate depending on the bias-voltage applied and shows that NDR processes are not influenced here by the redox character of the molecules.
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Density-functional thermochemistry. III. The role of exact exchange
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