Single-Molecule Device Prototypes for Protein-Based Nanoelectronics: Negative Differential Resistance and Current Rectification in Oligopeptides

Abstract

We investigate electrical conduction through individual oligopeptide molecules thiol-bonded between gold nanocontacts using ab initio and semi-empirical techniques. Our theory explains for the first time these molecules' experimentally observed current-voltage characteristics, including both the magnitude and rectification of the current, and uses no adjustable parameters. We identify the mechanism of the observed current rectification, and predict that it will result in negative differential resistance at moderate biases. Our findings open the way to the realization of protein-based nanoelectronic devices.

8 pages, 6 figures, 1 table. v2: new discussion of conductance as a function of molecular stretching, including new Fig. 3; expanded discussion of solution of the electrostatics problem; minor correction to Fig. 4 (was old Fig. 3); and minor clarifications throughout

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