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Theoretical study of the electron transport through the cysteine amino acid nanomolecular wire

Ganji, M. D ; Sharif University of Technology | 2008

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  1. Type of Document: Article
  2. DOI: 10.1142/s0219581x08005225
  3. Publisher: World Scientific Publishing Co. Pte Ltd , 2008
  4. Abstract:
  5. In this paper, we study the electrical transport and Negative Differential Resistance (NDR) in a single molecular conductor consisting of a cysteine sandwiched between two Au(111) electrodes via the Density Functional Theory-based Nonequilibrium Green's Function (DFT-NEGF) method. We show that (surprisingly, despite their apparent simplicity, these Au/cysteine/Au nanowires are shown to be a convenient NDR device) the smallest two-terminal molecular wire can exhibit NDR behavior to date. Experiments with a conventional or novel self-assembled monolayer (SAM) are proposed to test these predictions. The projected density of states (PDOSs) and transmission coefficients T(E) under various external voltage biases are analyzed, and it suggests that the variation of the coupling between the molecule and the electrodes with external bias leads to NDR. © 2008 World Scientific Publishing Company
  6. Keywords:
  7. Amino acids ; Design for testability ; Electrodes ; Electron transport properties ; Molecular electronics ; Nanowires ; Cysteine ; Electrical transport ; Electron transport ; External voltage bias ; Negative differential resistances ; Non-equilibrium Green's function ; Projected density of state ; Transmission coefficients ; Density functional theory
  8. Source: International Journal of Nanoscience ; Volume 7, Issue 2-3 , 2008 , Pages 95-102 ; 0219581X (ISSN)
  9. URL: https://www.worldscientific.com/doi/10.1142/S0219581X08005225