SHOWING 1-10 OF 33 REFERENCES
Many-body theory of electronic transport in single-molecule heterojunctions
A many-body theory of molecular junction transport based on nonequilibrium Green's functions is developed, which treats coherent quantum effects and Coulomb interactions on an equal footing. The…
The relation between structure and quantum interference in single molecule junctions.
- PhysicsNano letters
It is demonstrated that QI in aromatic molecules is intimately related to the topology of the molecule's π system and a simple graphical scheme is established to predict the existence of QI-induced transmission antiresonances.
Conduction mechanism in a molecular hydrogen contact.
- PhysicsPhysical review letters
First principles calculations for the conductance of a hydrogen molecule bridging a pair of Pt electrodes are presented and a resonant-level model for the system is derived with all parameters determined from the fully self-consistent Kohn-Sham Hamiltonian.
Vibrationally mediated control of single-electron transmission in weakly coupled molecule-metal junctions
- Physics, Chemistry
We propose a mechanism which allows one to control the transmission of single electrons through a molecular junction. The principle utilizes the emergence of transmission sidebands when molecular…
Understanding quantum interference in coherent molecular conduction.
- Chemistry, PhysicsThe Journal of chemical physics
The concept of electronic coupling from theories of intramolecular electron transfer is extended and applied in the scattering theory (Landauer) formalism, which yields a simple sum over independent channels that is used to interpret and explain the unusual features of junction transport through cross-conjugated molecules and the differences among benzene rings substituted at the ortho, meta, or para positions.
Exploring local currents in molecular junctions.
- Chemistry, PhysicsNature chemistry
It is shown how a description of the local currents within a bridging molecule bound to metallic electrodes can provide chemical insight into current flow, and that interference effects can be characterized by the reversal of ring currents.
Measurement of the conductance of a hydrogen molecule
- Chemistry, PhysicsNature
It is shown that a single hydrogen molecule can form a stable bridge between platinum electrodes, and represents a simple test system in which to understand fundamental transport properties of single-molecule devices.
Introducing Molecular Electronics
- Chemistry, Physics
Theory.- Foundations of Molecular Electronics - Charge Transport in Molecular Conduction Junctions.- AC-Driven Transport Through Molecular Wires.- Electronic Structure Calculations for Nanomolecular…
Electron transport through double quantum dots
Electron transport experiments on two lateral quantum dots coupled in series are reviewed. An introduction to the charge stability diagram is given in terms of the electrochemical potentials of both…
Inelastic scattering in metal- H 2 -metal junctions
We present first-principles calculations of the dI/dV characteristics of an H-2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is…