Switching in molecular transport junctions: Polarization response

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Yeganeh, Sina [1 ]
Galperin, Michael [1 ]
Ratner, Mark A. [1 ]
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[1] Department of Chemistry, Center for Nanofabrication and Molecular Self Assembly, Northwestern University, Evanston, IL 60208-3113, United States
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We discuss several proposed explanations for the switching and negative differential resistance (NDR) behavior seen in some molecular junctions. Several theoretical models are discussed; and we present results of electronic structure calculations on a series of substituted oligo(phenylene ethynylene) molecules. It is shown that a previously proposed polaron model is successful in predicting NDR behavior; and the model is elaborated with image charge effects and parameters from electronic structure calculations. This model now incorporates substituent effects and includes the effects of conformational change; charging; and image charge stabilization. © 2007 American Chemical Society;
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页码:13313 / 13320
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