Published March 24, 2010
| Version v1
Journal article
A combined Kirchhoff-Master equation approach to electronic transport in one-dimensional molecular conductors
Creators
- 1. Institut fuer Physikalische Chemie, Universitaet Freiburg, Albertstrasse 23a, D-79104 Freiburg im Breisgau (Germany)
Description
We discuss classical one-dimensional conductivity problems using Kirchhoff's law comprising resistor network nodes that can only be occupied by a limited number of charge carriers, leading to the formulation of combined Kirchhoff-Master equations (KMEs) of electronic transport. For illustrative purposes, the equations are solved for simple two site systems; and we present a numerical solution by means of a Monte Carlo method for arbitrary systems. As an example, the procedure is applied to describe DNA charge transfer through a nanojunction at ambient conditions in the regime of small external voltages.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.chemphys.2010.02.001Additional details
Identifiers
- DOI
- 10.1016/j.chemphys.2010.02.001;
- PII
- S0301-0104(10)00049-2;
Publishing Information
- Journal Title
- Chemical Physics
- Journal Volume
- 369
- Journal Issue
- 1
- Journal Page Range
- p. 22-26
- ISSN
- 0301-0104
- CODEN
- CMPHC2
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 43125607
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- CHARGE CARRIERS; CHARGED-PARTICLE TRANSPORT; DNA; ELECTRIC POTENTIAL; EQUATIONS; MONTE CARLO METHOD; NUMERICAL SOLUTION; ORGANIC SEMICONDUCTORS; RESISTORS
- Descriptors DEC
- CALCULATION METHODS; ELECTRICAL EQUIPMENT; EQUIPMENT; MATERIALS; MATHEMATICAL SOLUTIONS; NUCLEIC ACIDS; ORGANIC COMPOUNDS; RADIATION TRANSPORT; SEMICONDUCTOR MATERIALS
Optional Information
- Copyright
- Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.