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Article: Ab initio modeling of open systems: Charge transfer, electron conduction, and molecular switching of a C60 device

TitleAb initio modeling of open systems: Charge transfer, electron conduction, and molecular switching of a C60 device
Authors
Taylor, JGuo, HWang, J
KeywordsPhysics
Issue Date2001
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B (Condensed Matter), 2001, v. 63 n. 12, article no. 121104 How to Cite?
DOI: http://dx.doi.org/10.1103/PhysRevB.63.121104
AbstractWe present an ab initio analysis of electron conduction through a C60 molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied molecular orbital of the C60 to the Fermi level of the electrodes. This alignment induces a substantial device conductance of ∼2.2×(2e2/h). A gate potential can inhibit charge transfer, and introduce a conductance gap near EF, changing the current-voltage characteristics from metallic to semiconducting, thereby producing a field-effect molecular current switch.
Persistent Identifierhttp://hdl.handle.net/10722/43341
ISSN
0163-1829
ISI Accession Number ID
WOS:000167806600004

 

DC FieldValueLanguage
dc.contributor.authorTaylor, Jen_HK
dc.contributor.authorGuo, Hen_HK
dc.contributor.authorWang, Jen_HK
dc.date.accessioned2007-03-23T04:43:54Z-
dc.date.available2007-03-23T04:43:54Z-
dc.date.issued2001en_HK
dc.identifier.citationPhysical Review B (Condensed Matter), 2001, v. 63 n. 12, article no. 121104-
dc.identifier.issn0163-1829-
dc.identifier.urihttp://hdl.handle.net/10722/43341-
dc.description.abstractWe present an ab initio analysis of electron conduction through a C60 molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied molecular orbital of the C60 to the Fermi level of the electrodes. This alignment induces a substantial device conductance of ∼2.2×(2e2/h). A gate potential can inhibit charge transfer, and introduce a conductance gap near EF, changing the current-voltage characteristics from metallic to semiconducting, thereby producing a field-effect molecular current switch.en_HK
dc.format.extent268180 bytes-
dc.format.extent25600 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/en_HK
dc.relation.ispartofPhysical Review B (Condensed Matter)-
dc.rightsCopyright 2001 by The American Physical Society. This article is available online at https://doi.org/10.1103/PhysRevB.63.121104-
dc.subjectPhysicsen_HK
dc.titleAb initio modeling of open systems: Charge transfer, electron conduction, and molecular switching of a C60 deviceen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1098-0121&volume=63&issue=12&spage=121104:1&epage=4&date=2001&atitle=Ab+initio+modeling+of+open+systems:+Charge+transfer,+electron+conduction,+and+molecular+switching+of+a+C60+deviceen_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1103/PhysRevB.63.121104en_HK
dc.identifier.scopuseid_2-s2.0-0000512336-
dc.identifier.hkuros65406-
dc.identifier.volume63-
dc.identifier.issue12-
dc.identifier.spagearticle no. 121104-
dc.identifier.epagearticle no. 121104-
dc.identifier.isiWOS:000167806600004-
dc.identifier.issnl0163-1829-

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