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    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3915-3927 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A framework for estimating heating and expected temperature rise in current carrying molecular junctions is described. Our approach is based on applying the Redfield approximation to a tight binding model for the molecular bridge supplemented by coupling to a phonon bath. This model, used previously to study thermal relaxation effects on electron transfer and conduction in molecular junctions, is extended and used to evaluate the fraction of available energy, i.e., of the potential drop, that is released as heat on the molecular bridge. Classical heat conduction theory is then applied to estimate the expected temperature rise. For a reasonable choice of molecular parameters and for junctions carrying currents in the nA range, we find the temperature rise to be a modest few degrees. It is argued, however, that using classical theory to describe heat transport away from the junction may underestimate the heating effect. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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