lnu.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • 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
Conductance of Alkanedithiol Single-Molecule Junctions: A Molecular Dynamics Study
University of Kalmar, School of Pure and Applied Natural Sciences.
2009 (English)In: Nano letters (Print), ISSN 1530-6984, E-ISSN 1530-6992, Vol. 9, no 1, p. 117-121Article in journal (Refereed) Published
Abstract [en]

We study formation and conductance of alkanedithiol junctions using density functional based molecular dynamics. The formation involves straightening of the molecule, migration of thiol end-groups, and pulling out Au atoms. Plateaus are found in the low-bias conductance traces which decrease by 1 order of magnitude when gauche defects are present. We further show that the inelastic electron tunneling spectra depend on the junction geometry. In particular, our simulations suggest ways to identify gauche defects.

Place, publisher, year, edition, pages
2009. Vol. 9, no 1, p. 117-121
National Category
Physical Sciences
Research subject
Natural Science, Physics
Identifiers
URN: urn:nbn:se:lnu:diva-1925DOI: 10.1021/nl802643hOAI: oai:DiVA.org:lnu-1925DiVA, id: diva2:308973
Available from: 2010-04-06 Created: 2010-04-06 Last updated: 2017-12-12Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records BETA

Paulsson, Magnus

Search in DiVA

By author/editor
Paulsson, Magnus
By organisation
School of Pure and Applied Natural Sciences
In the same journal
Nano letters (Print)
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 203 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • 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