Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Effects of electrode distances on geometric structure and electronic transport properties of molecular 4,4'-bipyridine junction
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).ORCID iD: 0000-0003-0007-0394
2006 (English)In: Journal of Physics: Conference Series, ISSN 1742-6588, Vol. 29, no 1, 110-114 p.Article in journal (Refereed) Published
Abstract [en]

Influences of electrode distances on geometric structure of molecule and on electronic transport properties of molecular junctions have been investigated by means of a generalized quantum chemical approach based on the elastic scattering Green's function method. Numerical results show that, for organic molecule 4,4'-bipyridine, the geometric structure of the molecule especially the dihedral angle between the two pyridine rings is sensitive to the distances between the two electrodes. The currents of the molecular junction are taken nonlinearly increase with the increase of the bias. Shortening the distance of the metallic electrodes will result in stronger coupling and larger conductance.

Place, publisher, year, edition, pages
2006. Vol. 29, no 1, 110-114 p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-156370DOI: 10.1088/1742-6596/29/1/021Scopus ID: 2-s2.0-32144438703OAI: oai:DiVA.org:kth-156370DiVA: diva2:766432
Note

QC 20141127

Available from: 2014-11-27 Created: 2014-11-26 Last updated: 2015-10-14Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Authority records BETA

Luo, Yi

Search in DiVA

By author/editor
Luo, Yi
By organisation
Theoretical Chemistry (closed 20110512)
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 14 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf