uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • 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
Photoelectron and Absorption Spectroscopy Studies of Metal-Free Phthalocyanine on Au(111): Experiment and Theory
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
Show others and affiliations
2013 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 117, no 14, 7018-7025 p.Article in journal (Refereed) Published
Abstract [en]

The adsorption of monolayers and multilayers of metal-free phthalocyanine molecules on the Au(111) (root 3 x 22) reconstructed surface has been investigated by X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). Our results for the monolayer show that the molecules are arranged tightly onto the surface with their molecular plane parallel to it. In addition, the X-ray absorption spectra of the monolayer have been modeled by density functional theory, which could enlighten new aspect of the interaction between molecules and substrate. The XAS results evidence that also in the multilayer the molecules keep the orientation with the molecular plane parallel to the surface. These results are discussed in the framework of moleculemolecule/moleculeadsorbate interactions.

Place, publisher, year, edition, pages
2013. Vol. 117, no 14, 7018-7025 p.
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:uu:diva-200064DOI: 10.1021/jp307626nISI: 000317552200015OAI: oai:DiVA.org:uu-200064DiVA: diva2:622889
Available from: 2013-05-23 Created: 2013-05-20 Last updated: 2017-12-06Bibliographically approved
In thesis
1. Structure and Electronic Properties of Phthalocyanine Films on Metal and Semiconductor Substrates
Open this publication in new window or tab >>Structure and Electronic Properties of Phthalocyanine Films on Metal and Semiconductor Substrates
2014 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The current thesis presents fundamental studies of phthalocyanines (Pcs), a group of organic macro-cycle molecules. The use of phthalocyanine molecular films in devices with a variety of possible technological applications has been the reason of the many studies dedicated to such molecules during the last decades.

Core and valence photoelectron spectroscopies (PES), X-ray absorption spectroscopy (XAS) and scanning tunneling microscopy (STM) techniques are used to study phthalocyanine molecules in gas phase and adsorbed on gold (111) and silicon Si(100)-2x1 substrates. Density functional theory (DFT) is used to obtain further insights in the electronic structure of the phthalocyanines.

The aim of our studies is to get a deeper understanding into the molecule-molecule and molecule-substrate interactions, a fundamental requirement for improving the devices based on such molecular materials.

Gas phase PES and XAS studies and single molecule DFT calculations are performed on the valence band (VB) of iron phthalocyanine (FePc), manganese phthalocyanine (MnPc) and metal-free phthalocyanine (H2Pc). The VB simulations have shown how the metal atom of the Pc influences the inner valence states of the molecules. The HOMO of the H2Pc and FePc is formed by mostly C2p states, whereas the HOMO of MnPc has mainly Mn3d character.

PES studies of H2Pc on Au(111) have revealed the influence of the surface on the adsorption of the monolayer. XAS studies indicate formation of ordered monolayer with the Pc ligands parallel to the surface and the change of the molecular tilt angle with increasing thicknesses. For LuPc2 adsorbed on Au(111), STM study demonstrates a formation of bilayer instead of a monolayer.

A comparison between the results of LuPc2 adsorbed on pristine or passivated Si(100)-2x1 confirmes the different reactivities of these surfaces: LuPc2 retains many molecular-like characters, when adsorbed on the innert passivated Si. Instead, on the more reactive pristine Si surface, the spectroscopic results have indicated a more significant interaction, possible hybridization and charge redistribution between the molecules and the surface. Moreover, STM images show a modification of the geometrical shape of the molecules, which are proposed to adsorb in two different geometries on the pristine Si surface.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2014. 51 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1119
Keyword
Phthalocyanines, silicon(100), Au(111), photoelectron spectroscopy, scanning tunneling microscopy, surface science, organic molecules on surface
National Category
Natural Sciences Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-217086 (URN)978-91-554-8867-3 (ISBN)
Public defence
2014-03-14, Häggsalen, Ångström Laboratory, Lägerhyddsvägen 1, Uppsala, 10:15 (English)
Opponent
Supervisors
Available from: 2014-02-21 Created: 2014-01-29 Last updated: 2014-04-29

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Shariati, Masumeh-NinaLüder, JohannBidermane, IevaSanyal, BiplabEriksson, OllePiancastelli, Maria NovellaBrena, BarbaraPuglia, Carla

Search in DiVA

By author/editor
Shariati, Masumeh-NinaLüder, JohannBidermane, IevaSanyal, BiplabEriksson, OllePiancastelli, Maria NovellaBrena, BarbaraPuglia, Carla
By organisation
Molecular and condensed matter physicsMaterials Theory
In the same journal
The Journal of Physical Chemistry C
Natural Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 630 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • 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