| 1. |
- Bidermane, Ieva, 1984-, et al.
(författare)
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Adsorption and Molecular Orientation of Lutetium bi-Phthalocyanine Adlayers on Pristine Si(100)2x1 Surface
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- A combined photoelectron spectroscopy (PES), X-ray absorption spectroscopy (XAS)and scanning tunneling microscopy (STM) study has been performed to follow thechange in adsorption geometry and to characterize the adsorbate interaction with thesubstrate for dierent thicknesses of lutetium biphthalocyanine (LuPc2) adlayers onpristine Si(100)-2x1 reconstructed stepped surface. A shift to lower binding energieswith increasing thickness has been shown. The STM results showed clustering ofLuPc2 starting from submonolayer coverages and two distinct adsorption types havebeen identied. The STM and PES results have been linked together to propose twodierent adsorption types involving a stronger and weaker interaction with the Sidangling bonds. A change in average angle of molecules with respect to the normalof the surface for increasing thicknesses has been seen from the XAS measurements,leading to disordered layers for thicker films.
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| 2. |
- Bidermane, Ieva, 1984-, et al.
(författare)
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Atomic Contributions to the Valence Band Photoelectron Spectra of Metal-free, Iron and Manganese Phthalocyanines
- 2015
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 205, s. 92-97
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Forskningsöversikt (övrigt vetenskapligt/konstnärligt)abstract
- The present work reports a photoelectron spectroscopy study of the low-energy region of the valence band of metal-free phthalocyanine (H2Pc) compared with those of iron phthalocyanine (FePc) and manganese phthalocyanine (MnPc). We have analysed in detail the atomic orbital composition of the valence band both experimentally, by making use of the variation in photoionization cross-sections with photon energy, and theoretically, by means of density functional theory. The atomic character of the Highest Occupied Molecular Orbital (HOMO), reflected on the outermost valence band binding energy region, is different for MnPc as compared to the other two molecules. The peaks related to the C 2p contributions, result in the HOMO for H2Pc and FePc and in the HOMO-1 for MnPc as described by the theoretical predictions, in very good agreement with the experimental results. The DFT simulations, discerning the atomic contribution to the density of states, indicate how the central metal atom interacts with the C and N atoms of the molecule, giving rise to different partial and total density of states for these three Pc molecules.
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| 3. |
- Bidermane, Ieva, 1984-, et al.
(författare)
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Characterization of Gas Phase of Iron Phthalocyanine with X-ray Photoelectron and Absorption Spectroscopies
- 2015
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Ingår i: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 252:6, s. 1259-1265
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Tidskriftsartikel (refereegranskat)abstract
- Despite the numerous studies dedicated to phthalocyanine molecules adsorbed on surfaces, in monolayer or thin film, very few works have been focused on the characterization of vapors of these molecules. In this article we present the C 1s, N 1s and Fe 2p photoemission results as well as N K-edge X-ray absorption data of iron phthalocyanine (FePc) in gas phase. Presented comparison of X-ray photoelectron spectroscopy and X-ray absorption spectroscopy spectra of FePc films show a great similarity with the gas phase results, confirming the molecular character of thick films. The Fe2p photoemission spectrum of the gas phase FePc, shown for the first time, can be considered as a fingerprint of the Fe(II) ionic state of the central metal of the iron phthalocyanine. The performed multiplet calculations for describing the Fe 2p XP spectrum indicate 3Eg (a1g2eg32g1) state as the most probable ground state for thick film of iron phthalocyanine.
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| 4. |
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| 5. |
- Bidermane, Ieva, 1984-
(författare)
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Structure and Electronic Properties of Phthalocyanine Films on Metal and Semiconductor Substrates
- 2014
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- 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.
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| 6. |
- Farronato, M., et al.
(författare)
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New Quadratic Self-Assembly of Double-Decker Phthalocyanine on Gold(111) Surface : From Macroscopic to Microscopic Scale
- 2018
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 122:46, s. 26480-26488
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Tidskriftsartikel (refereegranskat)abstract
- Unveiling the self-organization mechanism of semiconducting organic molecules onto metallic surfaces is the first step to design hybrid devices in which the self-assembling is exploited to tailor magnetic properties. In this study, double-decker rare-earth phthalocyanines, namely, lutetium phthalocyanine (LuPc2), are deposited on Au(111) gold surface forming large-scale self-assemblies. Global and local experimental techniques, namely, grazing incidence X-ray diffraction and scanning tunneling microscopy, supplemented by density functional theory calculations with van der Waals corrections, give insight into the molecular structural arrangement of the thin film and the self organization at the surface. Our results show unambiguously that the two plateaus of the double-decker phthalocyanine present a different rotation than the isolated molecule. This is evidenced by density functional theory simulations of optimized LuPc2 monolayer showing a perfect agreement with experimental findings. Moreover, the stabilized structure of double layers reveals an eclipsed configuration of the molecules in the stacking, having the ligand plateaus parallel to the gold surface. The high crystallinity of the molecular assembly and its weak electronic coupling with the metallic substrate is expected to open new perspective in magnetic devices.
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| 7. |
- Leitner, Torsten, 1979-, et al.
(författare)
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The CoESCA station at BESSY: Auger electron–photoelectron coincidences from surfaces demonstrated for Ag MNN
- 2021
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 250
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Tidskriftsartikel (refereegranskat)abstract
- In this work, we present the CoESCA station for electron–electron coincidence spectroscopy from surfaces, built in a close collaboration between Uppsala University and Helmholtz-Zentrum Berlin at the BESSY II synchrotron facility in Berlin, Germany. We start with a detailed overview of previous work in the field of electron–electron coincidences, before we describe the CoESCA setup and its design parameters. The system is capable of recording shot-to-shot resolved 6D coincidence datasets, i.e. the kinetic energy and the two take off angles for both coincident electrons. The mathematics behind extracting and analysing these multi-dimensional coincidence datasets is introduced, with a focus on coincidence statistics, resulting in fundamental limits of the signal-to-noise ratio and its implications for acquisition times and the size of the raw data stream. The functionality of the CoESCA station is demonstrated for the example of Auger electron–photoelectron coincidences from silver surfaces for photoelectrons from the Ag 3d core levels and their corresponding MNN Auger electrons. The Auger spectra originating from the different core levels, 3d and 3d could be separated and further, the two-hole state energy distributions were determined for these Auger decay channels.
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| 8. |
- Witkowski, Nadine, et al.
(författare)
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Grafting, self-organization and reactivity of double-decker rare-earth phthalocyanine
- 2019
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Ingår i: Journal of Porphyrins and Phthalocyanines. - : WORLD SCI PUBL CO INC. - 1088-4246 .- 1099-1409. ; 23:11-12, s. 1523-1534
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Tidskriftsartikel (refereegranskat)abstract
- Unveiling the interplay of semiconducting organic molecules with their environment, such as inorganic materials or atmospheric gas, is the first step to designing hybrid devices with tailored optical, electronic or magnetic properties. The present article focuses on a double-decker lutetium phthalocyanine known as an intrinsic semiconducting molecule, holding a Lu ion in its center, sandwiched between two phthalocyanine rings. Carrying out experimental investigations by means of electron spectroscopies, X-ray diffraction and scanning probe microscopies together with advanced ab initio computations, allows us to unveil how this molecule interacts with weakly or highly reactive surfaces. Our studies reveal that a molecule-surface interaction is evidenced when molecules arc deposited on bare silicon or on gold surfaces together with a charge transferred from the substrate to the molecule, affecting to a higher extent the lower ring of the molecule. A new packing of the molecules on gold surfaces is proposed: an eclipse configuration in which molecules are flat and parallel to the surface, even for thick films of several hundreds of nanometers. Surprisingly, a robust tolerance of the double-decker phthalocyanine toward oxygen molecules is demonstrated, leading to weak chemisorption of oxygen below 100 K.
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