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

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.

author list (cited authors)

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

complete list of authors

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

publication date

  • January 1, 2002 11:11 AM