Theoretical interpretation of intrinsic line widths observed in inelastic electron tunneling scattering experiments Academic Article

abstract

• We report ab initio calculations of the frequency spectrum of an alkanedithiol molecule to explain an intrinsic line width found in an electron scattering tunneling spectroscopy experiment. It is found that the so-called intrinsic line width found in the experiment is because the fine structure nature of the vibrational spectrum. As nanoscale dimensions are approached, the fine structure of the vibrational spectrum becomes an important factor for the characterization of molecular electronics systems.

authors

• Seminario, Jorge

published proceedings

• JOURNAL OF PHYSICAL CHEMISTRY A

author list (cited authors)

• Seminario, J. M., & Cordova, L. E.

citation count

• 10

complete list of authors

• Seminario, JM||Cordova, LE

publication date

• June 2004

publisher

• American Chemical Society (ACS)  Publisher

published in

• The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory  Journal

keywords

• 34 Chemical Sciences
• 3406 Physical Chemistry
• 3407 Theoretical And Computational Chemistry
• 51 Physical Sciences

Digital Object Identifier (DOI)

• 10.1021/jp048311+

start page

• 5142

end page

• 5144

volume

• 108

issue

• 24

URL

• http%3A%2F%2Fdx.doi.org%2F10.1021%2Fjp048311%2B