Journal article
Application of time-dependent quantum mechanics to electron transport through molecular junctions
Bulletin of the American Physical Society, Vol.49(1)
01 Mar 2004
Abstract
The theoretical description of electron transport across a molecule is fundamentally a problem in scattering theory. To date, the great majority of theoretical treatments of electron transport in molecular junctions have been of the time independent variety. Time dependence, however, is critical to such properties as switching speeds in binary computer components and alternating current conductance. We will present the application of time-dependent methods to the study of electron transport across a molecular junction. The molecular junction is modeled as a single molecule sandwiched between two clusters of close packed metal atoms to which the molecule is connected through thiol linkages. The time dependence of electron transport is investigated by initially localizing an electron on the donor electrode cluster and following the time development of the corresponding non-stationary wavefunction of the time-independent Hamiltonian. The influence of junction molecule length, degree of conjugation, contact geometry and finite applied potential will be discussed.
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Details
- Title
- Application of time-dependent quantum mechanics to electron transport through molecular junctions
- Creators
- Natalie CarrollKarl Sohlberg
- Publication Details
- Bulletin of the American Physical Society, Vol.49(1)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Identifiers
- 991019222877004721