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Title: Contactless electronic transport in a bio-molecular junction

Molecular electronics hold promise for next generation ultra-low power, nano-scale integrated electronics. The main challenge in molecular electronics is to make a reliable interface between molecules and metal electrodes. Interfacing metals and molecules detrimentally affects the characteristics of nano-scale molecular electronic devices. It is therefore essential to investigate alternative arrangements such as contact-less tunneling gaps wherever such configurations are feasible. We conduct ab initio density functional theory and non-equilibrium Green's functions calculations to investigate the transport properties of a biocompatible glycine molecular junction. By analyzing the localized molecular orbital energy distributions and transmission probabilities in the transport-gap, we find a glycine molecule confined between two gold electrodes, without making a contact, is energetically stable and possesses high tunneling current resembling an excellent ohmic-like interface.
Authors:
; ;  [1] ;  [2]
  1. Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010 (Australia)
  2. (CfNE), The University of Melbourne, Parkville 3010 (Australia)
Publication Date:
OSTI Identifier:
22311214
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CONFIGURATION; DENSITY FUNCTIONAL METHOD; ELECTRIC CONTACTS; ELECTRODES; ELECTRONIC EQUIPMENT; ENERGY SPECTRA; EQUILIBRIUM; GLYCINE; GOLD; GREEN FUNCTION; INTERFACES; MOLECULAR ORBITAL METHOD; MOLECULES; SEMICONDUCTOR JUNCTIONS; TRANSMISSION; TUNNEL EFFECT