Theoretical interpretation of switching in experiments with single molecules. Academic Article

abstract

• Identifying the factors that trigger current-switching behavior of single molecules establishes the means by which it may be possible to tailor these molecules to perform as electronic devices. We provide a theoretical interpretation of switching observed in recent experiments with single molecules using quantum chemistry tools. We conclude that the switching observed in the experiment is mostly due to conformational changes and that some charge changes cannot be observed in STM experiments.

authors

• Seminario, Jorge

published proceedings

• J Am Chem Soc

author list (cited authors)

• Seminario, J. M., Derosa, P. A., & Bastos, J. L.

citation count

• 80

complete list of authors

• Seminario, Jorge M||Derosa, Pedro A||Bastos, Jimena L

publication date

• September 2002

publisher

• American Chemical Society (ACS)  Publisher

published in

• Journal of the American Chemical Society  Journal

keywords

• 0306 Physical Chemistry (incl. Structural)
• 0307 Theoretical And Computational Chemistry

PubMed Central ID

• 12197714

Digital Object Identifier (DOI)

• 10.1021/ja0176090

start page

• 10266

end page

• 10267

volume

• 124

issue

• 35

URL

• http://dx.doi.org/10.1021/ja0176090