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dc.contributor.authorEvans, Jeremy S.
dc.contributor.authorVan Voorhis, Troy
dc.date.accessioned2012-03-22T19:03:35Z
dc.date.available2012-03-22T19:03:35Z
dc.date.issued2009-07
dc.date.submitted2009-05
dc.identifier.issn1530-6984
dc.identifier.issn1530-6992
dc.identifier.urihttp://hdl.handle.net/1721.1/69836
dc.description.abstractWe critically re-examine conductance in benzenedithiol (BDT)/gold junctions using real-time DFT simulations. Our results indicate a powerful influence of the BDT molecular charge on current, with negative charge suppressing electron transport. This effect occurs dynamically as the BDT charge and current oscillate on the femtosecond time scale, indicating that a steady-state picture may not be appropriate for this single molecule conducting device. Further, we exploit this effect to show that a gate voltage can be used to indirectly control the device current by adjusting the molecular charge. Thus, it appears that transport in even this simple molecular junction involves a level of sophistication not heretofore recognized.en_US
dc.description.sponsorshipNational Science Foundation (U.S.) (NSF-CAREER Award (CHE-0547877)en_US
dc.description.sponsorshipDavid & Lucile Packard Foundation (Fellowship)en_US
dc.language.isoen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.isversionofhttp://dx.doi.org/10.1021/nl9011134en_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.sourceProf. Van Voorhis via Erja Kajosaloen_US
dc.titleDynamic current suppression and gate voltage response in metal-molecule-metal junctionsen_US
dc.typeArticleen_US
dc.identifier.citationEvans, Jeremy S., and Troy Van Voorhis. “Dynamic Current Suppression and Gate Voltage Response in Metal−Molecule−Metal Junctions.” Nano Letters 9.7 (2009): 2671–2675.en_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Chemistryen_US
dc.contributor.approverVan Voorhis, Troy
dc.contributor.mitauthorEvans, Jeremy S.
dc.contributor.mitauthorVan Voorhis, Troy
dc.relation.journalNano Lettersen_US
dc.eprint.versionAuthor's final manuscripten_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dspace.orderedauthorsEvans, Jeremy S.; Voorhis, Troy Vanen
dc.identifier.orcidhttps://orcid.org/0000-0001-7111-0176
mit.licensePUBLISHER_POLICYen_US


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