Tunnelling in alkanes anchored to gold electrodes via amine end groups

Giorgos Fagas, James C. Greer

Research output: Journal PublicationArticlepeer-review

38 Citations (Scopus)


For investigation of electron transport on the nanoscale, a system possessing a simple-to-interpret electronic structure is composed of alkane chains bridging two electrodes via end groups; to date, the majority of experiments and theoretical investigations on such structures have considered thiols bonding to gold electrodes. Recently experiments show that well-defined molecular conductances may be resolved if the thiol end groups are replaced by amines. In this theoretical study, we investigate the bonding of amine groups to gold clusters and calculate electron transport across the resulting tunnel junctions. We find very good agreement with recent experiments for alkane diamines and discuss differences with respect to the alkane dithiol system.

Original languageEnglish
Article number424010
Issue number42
Publication statusPublished - 24 Oct 2007
Externally publishedYes

ASJC Scopus subject areas

  • Bioengineering
  • General Chemistry
  • General Materials Science
  • Mechanics of Materials
  • Mechanical Engineering
  • Electrical and Electronic Engineering


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