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Title: Probing flexible conformations in molecular junctions by inelastic electron tunneling spectroscopy

The probe of flexible molecular conformation is crucial for the electric application of molecular systems. We have developed a theoretical procedure to analyze the couplings of molecular local vibrations with the electron transportation process, which enables us to evaluate the structural fingerprints of some vibrational modes in the inelastic electron tunneling spectroscopy (IETS). Based on a model molecule of Bis-(4-mercaptophenyl)-ether with a flexible center angle, we have revealed and validated a simple mathematical relationship between IETS signals and molecular angles. Our results might open a route to quantitatively measure key geometrical parameters of molecular junctions, which helps to achieve precise control of molecular devices.
Authors:
 [1] ;  [2] ; ;  [3] ;  [1] ;  [2] ;  [4]
  1. Department of Physics, Guizhou University, Guiyang, 550025 (China)
  2. (China)
  3. Department of Chemical Physics, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, 230026 (China)
  4. Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Normal College, Guiyang, 550018 (China)
Publication Date:
OSTI Identifier:
22454435
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 5; Journal Issue: 1; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CONTROL; COUPLINGS; ELECTRON SPECTROSCOPY; ELECTRONS; MOLECULES; SIGNALS