scholarly journals Characterization of single-molecule pentanedithiol junctions by inelastic electron tunneling spectroscopy and first-principles calculations

2010 ◽  
Vol 81 (7) ◽  
Author(s):  
Carlos R. Arroyo ◽  
Thomas Frederiksen ◽  
Gabino Rubio-Bollinger ◽  
Marisela Vélez ◽  
Andrés Arnau ◽  
...  
Keyword(s):  
Single Molecule ◽  
First Principles ◽  
Electron Tunneling ◽  
Tunneling Spectroscopy ◽  
Inelastic Electron ◽  
First Principles Calculations ◽  
Inelastic Electron Tunneling Spectroscopy ◽  
Inelastic Electron Tunneling ◽  
Electron Tunneling Spectroscopy

scholarly journals Crossover in the inelastic electron tunneling spectra of conjugated molecules with direct Au–C links

2019 ◽  
Vol 21 (3) ◽  
pp. 1564-1571
Author(s):  
Enrique Montes ◽  
Giuseppe Foti ◽  
Héctor Vázquez
Keyword(s):  
First Principles ◽  
Electron Tunneling ◽  
Tunneling Spectroscopy ◽  
Inelastic Electron ◽  
Vibrational Modes ◽  
Metal Electrodes ◽  
Conjugated Molecules ◽  
Inelastic Electron Tunneling Spectroscopy ◽  
Inelastic Electron Tunneling ◽  
Electron Tunneling Spectroscopy

We use inelastic electron tunneling spectroscopy (IETS) first-principles simulations to identify and characterize the different vibrational modes of single conjugated molecules bonded to Au metal electrodes.

scholarly journals Inelastic electron tunneling spectroscopy of difurylethene-based photochromic single-molecule junctions

2017 ◽  
Vol 8 ◽  
pp. 2606-2614 ◽  
Author(s):  
Youngsang Kim ◽  
Safa G Bahoosh ◽  
Dmytro Sysoiev ◽  
Thomas Huhn ◽  
Fabian Pauly ◽  
...  
Keyword(s):  
Single Molecule ◽  
Electron Tunneling ◽  
Electrical Conductance ◽  
Inelastic Electron ◽  
First Principles Calculations ◽  
Inelastic Electron Tunneling Spectroscopy ◽  
Single Molecule Junctions ◽  
Inelastic Electron Tunneling ◽  
Electron Tunneling Spectroscopy ◽  
Vibrational Features

Diarylethene-derived molecules alter their electronic structure upon transformation between the open and closed forms of the diarylethene core, when exposed to ultraviolet (UV) or visible light. This transformation results in a significant variation of electrical conductance and vibrational properties of corresponding molecular junctions. We report here a combined experimental and theoretical analysis of charge transport through diarylethene-derived single-molecule devices, which are created using the mechanically controlled break-junction technique. Inelastic electron tunneling (IET) spectroscopy measurements performed at 4.2 K are compared with first-principles calculations in the two distinct forms of diarylethenes connected to gold electrodes. The combined approach clearly demonstrates that the IET spectra of single-molecule junctions show specific vibrational features that can be used to identify different isomeric molecular states by transport experiments.

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