Electron transmission through molecules and molecular interfaces

A Nitzan - Annual review of physical chemistry, 2001 - annualreviews.org
▪ Abstract Electron transmission through molecules and molecular interfaces has been a
subject of intensive research due to recent interest in electron-transfer phenomena …

Important issues facing model-based approaches to tunneling transport in molecular junctions

I Bâldea - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
Extensive studies on thin films indicated a generic cubic current–voltage I–V dependence as
a salient feature of charge transport by tunneling. A quick glance at I–V data for molecular …

Current–voltage characteristics of tunneling molecular junctions for off-resonance injection

V Mujica, MA Ratner - Chemical Physics, 2001 - Elsevier
An analytical expression is obtained for the I–V curves for a tight-binding model of a
molecule–metal junction for off-resonance injection. The derivation takes into account a self …

Conductance of molecular wires: Analytical modeling of connection to leads

A Onipko, Y Klymenko, L Malysheva - Physical Review B, 2000 - APS
The on-top and on-hollow connections of a molecule to leads are studied in the context of
the single-molecule conductance measured by STM-related techniques. In the framework of …

Analytical model of molecular wire performance: A comparison of π and σ electron systems

A Onipko - Physical Review B, 1999 - APS
The exact closed expression of zero-temperature Ohmic conductance for heterojunctions of
the type three-dimensional (3D) metal/molecule/3D metal is obtained. It is specified further in …

Conductancemanipulation at the molecular level

M Paulsson, S Stafström - Journal of Physics: Condensed Matter, 1999 - iopscience.iop.org
Using a tight-binding model we have studied the electronic transmission through a C 60
molecule sandwiched between a metal surface and a metal (scanning tunnelling …

Theoretical study of trends in conductance for molecular junctions formed with armchair carbon nanotube electrodes

YR Chen, L Zhang, MS Hybertsen - Physical Review B—Condensed Matter …, 2007 - APS
The transmission through prototype aromatic molecule junctions formed between armchair
(metallic) carbon nanotube electrodes is studied using a tight-binding model with a Green's …

Electron transfer in proteins: Nonorthogonal projections onto donor–acceptor subspace of the Hilbert space

PCP de Andrade, JA Freire - The Journal of chemical physics, 2004 - pubs.aip.org
We develop nonorthogonal projectors, called Löwdin projectors, to construct an effective
donor–acceptor system composed of localized donor (D) and acceptor (A) states of a long …

Coherent electron transport in molecular contacts: A case of tractable modeling

A Onipko, L Malysheva - Nano and Molecular Electronics …, 2018 - taylorfrancis.com
This chapter provides a researcher with the necessary requisites for independent modeling
of coherent electron transport through a single molecule connecting two …

Green function of conjugated oligomers: the exact analytical solution with an application to the molecular conductance

A Onipko, Y Klymenko, L Malysheva - Materials Science and Engineering …, 1999 - Elsevier
The exact analytical expression of the Green function of oligomers M–M–…–M and M1–M2–
M1–…–M2–M1, where M, M1, and M2 are monomers of arbitrary π electronic structure …