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Article: Interference and Molecular Transport - A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes

TitleInterference and Molecular Transport - A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes
Authors
Issue Date2014
Citation
The Journal of Physical Chemistry Letters, 2014, v. 5 n. 15, p. 2748-2752 How to Cite?
AbstractThe primary issue in molecular electronics is measuring and understanding how electrons travel through a single molecule strung between two electrodes. A key area involves electronic interference that occurs when electrons can follow more than one pathway through the molecular entity. When the phases developed along parallel pathways are inequivalent, interference effects can substantially reduce overall conductance. This fundamentally interesting issue can be understood using classical rules of physical organic chemistry, and the subject has been examined broadly. However, there has been little dynamical study of such interference effects. Here, we use the simplest electronic structure model to examine the coherent time-dependent transport through meta- and para-linked benzene circuits, and the effects of decoherence. We find that the phase-caused coherence/decoherence behavior is established very quickly (femtoseconds), that the localized dephasing at any site reduces the destructive interference of the meta-linked species (raising the conductance), and that thermal effects are essentially ineffectual for removing coherence effects.
Persistent Identifierhttp://hdl.handle.net/10722/202592
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorCHEN, Sen_US
dc.contributor.authorZHANG, Yen_US
dc.contributor.authorKOO, SKen_US
dc.contributor.authorTian, Hen_US
dc.contributor.authorYam, CYen_US
dc.contributor.authorChen, Gen_US
dc.contributor.authorRatner, MAen_US
dc.date.accessioned2014-09-19T08:42:07Z-
dc.date.available2014-09-19T08:42:07Z-
dc.date.issued2014en_US
dc.identifier.citationThe Journal of Physical Chemistry Letters, 2014, v. 5 n. 15, p. 2748-2752en_US
dc.identifier.urihttp://hdl.handle.net/10722/202592-
dc.description.abstractThe primary issue in molecular electronics is measuring and understanding how electrons travel through a single molecule strung between two electrodes. A key area involves electronic interference that occurs when electrons can follow more than one pathway through the molecular entity. When the phases developed along parallel pathways are inequivalent, interference effects can substantially reduce overall conductance. This fundamentally interesting issue can be understood using classical rules of physical organic chemistry, and the subject has been examined broadly. However, there has been little dynamical study of such interference effects. Here, we use the simplest electronic structure model to examine the coherent time-dependent transport through meta- and para-linked benzene circuits, and the effects of decoherence. We find that the phase-caused coherence/decoherence behavior is established very quickly (femtoseconds), that the localized dephasing at any site reduces the destructive interference of the meta-linked species (raising the conductance), and that thermal effects are essentially ineffectual for removing coherence effects.en_US
dc.languageengen_US
dc.relation.ispartofThe Journal of Physical Chemistry Lettersen_US
dc.titleInterference and Molecular Transport - A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenesen_US
dc.typeArticleen_US
dc.identifier.emailTian, H: htlzsc@hku.hken_US
dc.identifier.emailYam, CY: yamcy1@hku.hken_US
dc.identifier.emailChen, G: ghc@yangtze.hku.hken_US
dc.identifier.authorityYam, CY=rp01399en_US
dc.identifier.authorityChen, G=rp00671en_US
dc.identifier.doi10.1021/jz5007143en_US
dc.identifier.hkuros237583en_US
dc.identifier.volume5en_US
dc.identifier.spage2748en_US
dc.identifier.epage2752en_US
dc.identifier.isiWOS:000340222200043-

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