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
Potassium-intercalated H2Pc films: Alkali-induced electronic and geometrical modifications
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
Show others and affiliations
Responsible organisation
2012 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 137, no 4, 044708- p.Article in journal (Refereed) Published
Abstract [en]

X-ray spectroscopy studies of potassium intercalated metal-free phthalocyanine multilayers adsorbed on Al(110) have been undertaken. Photoelectron spectroscopy measurements show the presence of several charge states of the molecules upon K intercalation, due to a charge transfer from the alkali. In addition, the comparison of valence band photoemission spectra with the density functional theory calculations of the density of states of the H2Pc anion indicates a filling of the formerly lowest unoccupied molecular orbital by charge transfer from the alkali. This is further confirmed by x-ray absorption spectroscopy (XAS) studies, which show a decreased density of unoccupied states. XAS measurements in different experimental geometries reveal that the molecules in the pristine film are standing upright on the surface or are only slightly tilted away from the surface normal but upon K intercalation, the molecular orientation is changed in that the tilt angle of the molecules increases.

Place, publisher, year, edition, pages
2012. Vol. 137, no 4, 044708- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-173385DOI: 10.1063/1.4738755ISI: 000307611500056OAI: oai:DiVA.org:uu-173385DiVA: diva2:517324
Available from: 2012-04-23 Created: 2012-04-23 Last updated: 2017-12-07Bibliographically approved
In thesis
1. Electronic and Geometric Structure of Phthalocyanines on Metals
Open this publication in new window or tab >>Electronic and Geometric Structure of Phthalocyanines on Metals
2012 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Adsorption of monolayers and multilayers of metal-free and metal phthalocyanines molecules on metal surfaces has been investigated using complementary microscopic and synchrotron-based spectroscopic techniques. It was observed by STM measurements that at monolayer coverage the adsorption direction of the metal-free phthalocyanine molecules with respect to the gold surface vary as a function of temperature, i.e. at room temperature (RT) and low temperature (LT). It was explained by the difference in strength of intermolecular and adsorbate-substrate interactions at room and low temperatures. Nature of the interaction between adsorbed species and the surfaces as a function of coverage has been further characterized by XPS measurements. Binding energy shifts as a function of coverage have been attributed to initial- and final-state effects, the latter being due to different core-hole screening for the different molecular coverage. The alignment of molecular films at both monolayer and multilayer coverages, which has been determined by XAS measurements in several cases, is also dependent upon the relative strength of molecule-molecule versus molecule-substrate interaction. Parallel alignment of the molecular film with respect to the surface is the result of significant interaction between the adsorbate and the substrate, whilst standing geometry of the molecular film is due to more significant intermolecular interactions. DFT simulations have provided further information on the nature of the adsorbate-substrate interaction as well as contribution of different molecular orbitals in XPS and XAS spectra. Moreover, investigation of alkali interaction with the phthalocyanine films revealed a significant modification in their geometric and electronic structures due to charge transfer from the alkali metal to the molecular film. However, no sign of metallization of the molecules has been observed by spectroscopic and microscopic studies.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2012. 64 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 941
Keyword
monolayer, multilayer, metal-free phthalocyanine, metal phthalocyanine, interaction, intermolecular, adsorbate-substrate, XPS, XAS, STM, DFT, alkali, metallization
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-173505 (URN)978-91-554-8382-1 (ISBN)
Public defence
2012-06-08, Polhemsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 10:00 (English)
Opponent
Supervisors
Available from: 2012-05-16 Created: 2012-04-25 Last updated: 2012-09-18Bibliographically approved

Open Access in DiVA

fulltext(1729 kB)163 downloads
File information
File name FULLTEXT02.pdfFile size 1729 kBChecksum SHA-512
6f40f38aff85a37aee10b627f192c91798c82a8082bc5751e917d6a2fcc41d64090954bdac7818a5c1689a52acd0c2a5eeb77d35d9d81c5f7f3381bfb9fd06de
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Search in DiVA

By author/editor
Åhlund, JohnShariati, Masumeh-NinaBrena, BarbaraHennies, FranzMårtensson, NilsPuglia, Carla
By organisation
Surface and Interface ScienceMaterials Theory
In the same journal
Journal of Chemical Physics
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 163 downloads
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

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 691 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