Effects of electronic coupling and electrostatic potential on charge transport in carbon-based molecular electronic junctions.

ABSTRACT: Molecular junctions consisting of 2-20 nm thick layers of organic oligomers oriented between a conducting carbon substrate and a carbon/gold top contact have proven to be reproducible and reliable, and will soon enter commercial production in audio processing circuits. The covalent, conjugated bond between one or both sp(2)-hybridized carbon contacts and an aromatic molecular layer is distinct from the more common metal/molecule or silicon/molecule structures in many reported molecular junctions. Theoretical observations based on density functional theory are presented here, which model carbon-based molecular junctions as single molecules and oligomers between fragments of graphene. Electronic coupling between the molecules and the contacts is demonstrated by the formation of hybrid orbita

SUBMITTER: McCreery RL 

PROVIDER: S-EPMC4734416 | biostudies-literature | 2016

REPOSITORIES: biostudies-literature