Conductance switching in a molecular device: The role of side groups and intermolecular interactions

Publication: Research - peer-reviewJournal article – Annual report year: 2003

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We report first-principles studies of electronic transport in monolayers of Tour wires functionalized with different side groups. An analysis of the scattering states and transmission eigenchannels suggests that the functionalization does not strongly affect the resonances responsible for current flow through the monolayer. However, functionalization has a significant effect on the interactions within the monolayer, so that monolayers with NO2 side groups exhibit local minima associated with twisted conformations of the molecules. We use our results to interpret observations of negative differential resistance and molecular memory in monolayers of NO2 functionalized molecules in terms of a twisting of the central ring induced by an applied bias potential.
Original languageEnglish
JournalPhysical Review B (Condensed Matter and Materials Physics)
Publication date2003
Volume68
Issue12
Pages121101
ISSN1098-0121
DOIs
StatePublished

Bibliographical note

Copyright (2003) American Physical Society.

CitationsWeb of Science® Times Cited: 156

Keywords

  • SYSTEMS, TRANSPORT, ELECTRONICS, NEGATIVE DIFFERENTIAL RESISTANCE
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