Conductance of molecular wires and transport calculations based on density-functional theory
By F. Evers, Florian Weigend, M. Koentopp. 2004
173 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Electrochemistry
View Paper: https://www.semanticscholar.org/paper/2b0c6270e37d2c0df3cb7ece5a4c7e82cf760696
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Atomic and Molecular Physics, and Optics
- Michael Galperin
- S. Kohler
- Jörg Lehmann
- Mark A. Ratner
- F. Evers
- J. V. van Ruitenbeek
- Richard Koryt'ar
- P. Hänggi
In Electrical and Electronic Engineering
- T. O. S. University
- Israel
- Northwestern University School of Chemistry
- Michael Galperin
- S. Kohler
- Jörg Lehmann
- Mark A. Ratner
- Abraham Nitzan Department of Chemistry
In Electrochemistry
Citations in the corpus
- Molecular transport junctions: vibrational effects (2006, background): “The applicability of DFT for transport problems is questionable,[365-367] however it is the only first-principle technique available today to general practitioners that is capable of dealing with large organic molecules often used as molecular wires.”
- Advances and challenges in single-molecule electron transport (2019, background): “Hence, the transmission of BDT turned out to be rather robust against geometry changes, with observed variations of the order of percents (Evers et al., 2004) For example, Basch et al. (2005) obtained a large conductance of 0.5 G0 for Au-S-benzene-S-Au binding to a flat Au surface.”
- Driven quantum transport on the nanoscale (2004, background): “A first one starts out from the ab-initio computation of the orbitals relevant for the motion of excess charges through the molecular wire [14–18] At present, however, the results of such computations generally differ by more than one order of magnitude from experimental data, possibly due to the eq”