Charge transfer through single molecule contacts: How reliable are rate descriptions?

• Denis Kast,
• L. Kecke and
• J. Ankerhold

Beilstein J. Nanotechnol. 2011, 2, 416–426, doi:10.3762/bjnano.2.47

• ; molecular contacts; nonequilibrium distributions; numerical simulations; rate equations; Introduction Electrical devices on the nanoscale have received substantial interest in the last decade [1]. Impressive progress has been achieved in contacting single molecules or molecular aggregates with conducting

• . Deviations that occur for larger values of m0 can partially be explained by nonequilibrium distributions in the phonon distribution, where, however, the master equation approach seems to overestimate this effect. In order to obtain some insight into the nature of this deficiency, a minimal approach consists