Nuclear coupling and polarization in molecular transport junctions: beyond tunneling to function
Much current experimental research on transport in molecular junctions focuses on finite
voltages, where substantial polarization-induced nonlinearities may result in technologically …
voltages, where substantial polarization-induced nonlinearities may result in technologically …
Charge transport in single Au| alkanedithiol| Au junctions: coordination geometries and conformational degrees of freedom
C Li, I Pobelov, T Wandlowski, A Bagrets… - Journal of the …, 2008 - ACS Publications
Recent STM molecular break-junction experiments have revealed multiple series of peaks in
the conductance histograms of alkanedithiols. To resolve a current controversy, we present …
the conductance histograms of alkanedithiols. To resolve a current controversy, we present …
Length dependence of electron transport through molecular wires–a first principles perspective
One-dimensional wires constitute a fundamental building block in nanoscale electronics.
However, truly one-dimensional metallic wires do not exist due to Peierls distortion …
However, truly one-dimensional metallic wires do not exist due to Peierls distortion …
Length dependence of conductance in aromatic single-molecule junctions
Using a scattering-state approach incorporating self-energy corrections to the junction level
alignment, the conductance G of oligophenyldiamine− Au junctions is calculated and …
alignment, the conductance G of oligophenyldiamine− Au junctions is calculated and …
Influence of the contact area on the current density across molecular tunneling junctions measured with EGaIn top-electrodes
This paper describes the relationship between the rates of charge transport (by tunneling)
across self-assembled monolayers (SAMs) in a metal/SAM//Ga2O3/EGaIn junction and the …
across self-assembled monolayers (SAMs) in a metal/SAM//Ga2O3/EGaIn junction and the …
The Driven Liouville von Neumann approach to electron dynamics in open quantum systems
Abstract The driven Liouville von Neumann approach is a method to computationally
explore electron dynamics and transport in nanoscale systems. It does so by imposing open …
explore electron dynamics and transport in nanoscale systems. It does so by imposing open …
Green function techniques in the treatment of quantum transport at the molecular scale
The theoretical investigation of charge (and spin) transport at nanometer length scales
requires the use of advanced and powerful techniques able to deal with the dynamical …
requires the use of advanced and powerful techniques able to deal with the dynamical …
Biological extension of the action principle: Endpoint determination beyond the quantum level and the ultimate physical roots of consciousness
A Grandpierre - arxiv preprint arxiv:0802.0601, 2008 - arxiv.org
We show that when we endow the action principle with the overlooked possibility to allow
endpoint selection, it gains an enormous additional power, which, perhaps surprisingly …
endpoint selection, it gains an enormous additional power, which, perhaps surprisingly …
Charge transport across insulating self-assembled monolayers: Non-equilibrium approaches and modeling to relate current and molecular structure
This paper examines charge transport by tunneling across a series of electrically insulating
molecules with the structure HS (CH2) 4CONH (CH2) 2R) in the form of self-assembled …
molecules with the structure HS (CH2) 4CONH (CH2) 2R) in the form of self-assembled …
Determination of complex absorbing potentials from the electron self-energy
The electronic conductance of a molecule making contact to electrodes is determined by the
coupling of discrete molecular states to the continuum electrode density of states …
coupling of discrete molecular states to the continuum electrode density of states …