ELECTRON TRANSPORT THROUGH THE Mo6S8 MOLECULE IN THE ELECTRODE–CLUSTER– ELECTRODE SYSTEM: EFFECT OF THE CLUSTER REMOTENESS AND ORIENTATION RELATIVE TO THE ELECTRODES

The electron transport through the Mo 6 S 8 cluster located between two one-dimensional electrodes composed of aluminum atoms is studied by non-equilibrium Green’s function method. It is shown that the electron transport depends on the interatomic distances between the terminal atoms of the electrod...

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Veröffentlicht in:Journal of structural chemistry 2022-11, Vol.63 (11), p.1745-1750
Hauptverfasser: Ryzhikov, M. R., Kozlova, S. G.
Format: Artikel
Sprache:eng
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Zusammenfassung:The electron transport through the Mo 6 S 8 cluster located between two one-dimensional electrodes composed of aluminum atoms is studied by non-equilibrium Green’s function method. It is shown that the electron transport depends on the interatomic distances between the terminal atoms of the electrode and cluster, as well as the cluster orientation relative to the electrodes. Conditions under which the maximum probability for the electron transport can be achieved are proposed.
ISSN:0022-4766
1573-8779
DOI:10.1134/S0022476622110038