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On the electrostatic potential profile in biased molecular wires
2002
Journal of Chemical Physics
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The potential profile across a biased molecular junction is calculated within the framework of a simple Thomas-Fermi type screening model. In particular, the relationship between this profile and the lateral molecular cross section is examined. We find that a transition from a linear potential profile to a potential that drops mainly near the molecule-metal contacts occurs with increasing cross section width, in agreement with numerical quantum calculations.
doi:10.1063/1.1522406
fatcat:2c3vhpky5vbp7adurippsexaxa