Assignments of Inelastic Electron Tunneling Spectra of Semifluorinated Alkanethiol Molecular Junctions

2011 ◽  
Vol 115 (41) ◽  
pp. 20301-20306 ◽  
Author(s):  
Li-Li Lin ◽  
Bin Zou ◽  
Chuan-Kui Wang ◽  
Yi Luo
Keyword(s):  
Electron Tunneling ◽  
Molecular Junctions ◽  
Inelastic Electron ◽  
Inelastic Electron Tunneling

scholarly journals The Limits of Inelastic Tunneling Spectroscopy for Identifying Transport Pathways

2020 ◽  
Author(s):  
Michael Deffner ◽  
Carmen Herrmann
Keyword(s):  
Electron Tunneling ◽  
Tunneling Spectroscopy ◽  
Molecular Junctions ◽  
Inelastic Electron ◽  
Vibrational Modes ◽  
Transport Pathway ◽  
Transport Pathways ◽  
Inelastic Electron Tunneling ◽  
Electron Tunneling Spectroscopy ◽  
Transmission Pathways

Inelastic Electron Tunneling Spectroscopy (IETS) is a powerful tool to study the properties of molecular junctions. In particular, it is considered useful for extracting information on electron transport pathways. We explore the limits of this approach by comparing computed interatomic transmission pathways with IETS intensities for different molecular junctions, employing a new efficient implementation for evaluating IETS intensities via the mode-tracking algorithm. We find that while a correlation be- tween pathways and IETS intensities indeed holds when vibrations are clearly localized on atoms off the transport pathway, there is no such correlation for molecules with less localized vibrations, even if transport pathways only sample part of the molecule, and even if a statistical analysis over the vibrational modes is made. This could indicate that the significance of IETS signals for transport pathways is limited to molecules with localized vibrational modes.

The Junction Width Effect on Inelastic Electron Tunneling Spectroscopy in Octanethiolate Molecular Junctions

2013 ◽  
Vol 634-638 ◽  
pp. 25-28
Author(s):  
Jian Cai Leng ◽  
Hong Ma ◽  
Yong Ma
Keyword(s):  
First Principles ◽  
Electron Tunneling ◽  
Peak Height ◽  
Molecular Junctions ◽  
Inelastic Electron ◽  
Coupling Energy ◽  
Inelastic Electron Tunneling Spectroscopy ◽  
Width Effect ◽  
Inelastic Electron Tunneling ◽  
Electron Tunneling Spectroscopy

First-principles investigation on the inelastic electron tunneling spectra of octanethiolate molecular junctions is performed. It is demonstrated that the inelastic electron tunneling spectra are very sensitive to the molecular junction width. The varied peak height mainly caused by the different coupling energy between the electrode and molecule.

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