liu.seSearch for publications in DiVA
Change search
ReferencesLink to record
Permanent link

Direct link
Theoretical study of the interaction between sodium and oligomers of poly(p-phenylenevinylene) and poly(p-phenylene)
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology. Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Mons, Belgium.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology. Groupe de Physique des Solides, place Jussieu, 75251 Paris Cedex 05, France.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
Show others and affiliations
1994 (English)In: Synthetic metals, ISSN 0379-6779, E-ISSN 1879-3290, Vol. 67, no 1-3, 141-145 p.Article in journal (Refereed) PublishedText
Abstract [en]

The semi-empirical Austin Model 1 and the non-empirical pseudo-potential valence effective Hamiltonian (VEH) methods as well as the local spin density (LSD) approximation technique have been applied to the investigation of the doping-induced electronic and geometrical changes in some conjugated molecules related to poly(p-phenylene) and poly(p-phenylenevinylene) (PPV): biphenyl, stilbene and a phenyl-capped dimer of PPV. The theoretical results are compared with experimental valence band spectra, as recorded by ultraviolet photoelectron spectroscopy (UPS). The experimental UPS studies show that two ingap states are detected upon doping with alkali metals. The energy splitting between the two in-gap states increases as the molecule size decreases. The results of the LSD calculations agree very well with the experimental results, while the VEH method overestimates the energy splitting for the small molecules. The LSD modelling also indicates a destabilization of several high binding energy valence levels, due to the presence of counter-ions, in agreement with experiment.

Place, publisher, year, edition, pages
Elsevier, 1994. Vol. 67, no 1-3, 141-145 p.
Keyword [en]
Sodium, Oligomers, Poly(p-phenylenevinylene), Poly(p-phenylene)
National Category
Physical Sciences Chemical Sciences
Identifiers
URN: urn:nbn:se:liu:diva-124176DOI: 10.1016/0379-6779(94)90028-0ISI: A1994PW12000026OAI: oai:DiVA.org:liu-124176DiVA: diva2:896182
Available from: 2016-01-20 Created: 2016-01-20 Last updated: 2016-02-02Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Lögdlund, MichaelDannetun, PerSalaneck, William R.
By organisation
Department of Physics, Chemistry and BiologyThe Institute of Technology
In the same journal
Synthetic metals
Physical SciencesChemical Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 254 hits
ReferencesLink to record
Permanent link

Direct link