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  • 1.
    Crispin, Xavier
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för teknik och naturvetenskap.
    Cornil, J.
    Université de Mons-Hainaut.
    Friedlein, Rainer
    Linköpings universitet, Institutionen för fysik, kemi och biologi.
    Okudaira, K. K.
    Chiba University.
    Lemaur, V
    Université de Mons-Hainaut.
    Crispin, Annica
    Linköpings universitet, Institutionen för fysik, kemi och biologi.
    Kestemont, G.
    Université Libre de Bruxelles.
    Lehmann, M.
    Université Libre de Bruxelles.
    Fahlman, Mats
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för teknik och naturvetenskap.
    Lazzaroni, R.
    Université de Mons-Hainaut.
    Geerts, Y
    Université Libre de Bruxelles.
    Wendin, G.
    Chalmers University of Technology.
    Ueno, N.
    Chiba University.
    Brédas, J.-L.
    Université de Mons-Hainaut.
    Salaneck, William R
    Linköpings universitet, Institutionen för fysik, kemi och biologi.
    Electronic delocalization in discotic liquid crystals: A joint experimental and theoretical study2004Inngår i: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 126, nr 38, s. 11889-11899Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Discotic liquid crystals emerge as very attractive materials for organic-based (opto)electronics as they allow efficient charge and energy transport along self-organized molecular columns. Here, angle-resolved photoelectron spectroscopy (ARUPS) is used to investigate the electronic structure and supramolecular organization of the discotic molecule, hexakis(hexylthio)diquinoxalino[2,3-a:2′,3′-c]phenazine, deposited on graphite. The ARUPS data reveal significant changes in the electronic properties when going from disordered to columnar phases, the main feature being a decrease in ionization potential by 1.8 eV following the appearance of new electronic states at low binding energy. This evolution is rationalized by quantum-chemical calculations performed on model stacks containing from two to six molecules, which illustrate the formation of a quasi-band structure with Bloch-like orbitals delocalized over several molecules in the column. The ARUPS data also point to an energy dispersion of the upper π-bands in the columns by some 1.1 eV, therefore highlighting the strongly delocalized nature of the π-electrons along the discotic stacks.

  • 2. da Silva, DA
    et al.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Coropceanu, V
    Ohrwall, G
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Suess, C
    Sorensen, SL
    Svensson, S
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Bredas, JL
    Vibronic coupling in the ground and excited states of the naphthalene cation2004Inngår i: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, nr 15, s. 1702-1703Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The hole - vibrational coupling in naphthalene is studied using high-resolution gas-phase photoelectron spectroscopy and density functional theory calculations (DFT), and a remarkable increase of the coupling with low-frequency vibrations is observed in the excited states.

  • 3.
    de Jong, Michel P
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Bergenti, I.
    ISMN-CNR, via Gobetti 101, 40129 Bologna, Italy.
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Dediu, V.A.
    ISMN-CNR, via Gobetti 101, 40129 Bologna, Italy.
    Taliani, C.
    ISMN-CNR, via Gobetti 101, 40129 Bologna, Italy.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Valence electronic states related to Mn2+ at La0.7 Sr0.3 MnO3 surfaces characterized by resonant photoemission2006Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 73, nr 5Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Nonferromagnetic Mn2+ ions can be readily formed at the surface of half metallic La0.7 Sr0.3 MnO3 manganite as demonstrated by deoxygenating surface treatments. The 3 d5 contribution of these Mn2+ ions to the valence-band electronic structure has been characterized using Mn(2p) to 3d resonant photoemission measurements. The Mn2+ related 3d electrons were found to be stabilized by about 2 eV with respect to the mixed-valence 3d states, indicating their strong localization. Active participation of Mn2+ states in both spin and charge conductivity processes is therefore excluded. A two-channel picture, including independent Mn3+ Mn4+ and Mn2+ channels, emerges from detailed data analysis. Reversible Mn2+ formation and straightforward oxygen annealing effects point to a direct bonding between Mn2+ and oxygen vacancies that are most probably created at preexisting structural defects. The t2g and eg states of the mixed valence Mn3+ Mn4+ ions remain unaffected as the Mn2+ content increases, indicating a robust Mn3+ Mn4+ channel independent of structural defects. © 2006 The American Physical Society.

  • 4.
    de Jong, Michel P
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Fahlman, Mats
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Ultraviolet photoelectron spectroscopy of polymers2006Inngår i: MOLECULAR CRYSTALS AND LIQUID CRYSTALS, ISSN 1542-1406, Vol. 455, s. 193-203Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    During the past three decades, ultraviolet photoelectron spectroscopy of polymer films has evolved from a sort of appearance-potential ( valence band edge) measurement, into a tool for studying the full valence band region of thin polymer films, including insulating polymers, semiconducting polymers and electrically conducting polymers. Progress may be loosely divided into several categories: (A) the melding of thin polymer film technology with ultra high vacuum technology and the widespread use of helium resonance lamps for studies of solid surfaces, (B) the combined approach of measurements and appropriate theoretical-computational methods, and (C) the advent of synchrotron radiation resulting in multi-photon spectroscopies, nominally in the area of the near UV. A coincident discovery of electrically conducting polymers, and especially the evolution of applications of semiconducting polymers, added technologically driven emphasis to this development of UPS for polymer materials. This contribution traces a limited number of highlights in the evolution of UPS of polymers, from the '70' s through to 2005.

  • 5.
    de Jong, Michel P
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Friedlein, Rainer
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Sorensen, S. L.
    Department of Synchrotron Radiation Research, Institute of Physics, University of Lund, Lund, Sweden.
    Öhrwall, G.
    Department of Physics, Uppsala University, Uppsala, Sweden.
    Osikowicz, Wojciech
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Tengstedt, Carl
    Linköpings universitet, Institutionen för teknik och naturvetenskap. Linköpings universitet, Tekniska högskolan.
    Jönsson, Stina
    Linköpings universitet, Institutionen för teknik och naturvetenskap. Linköpings universitet, Tekniska högskolan.
    Fahlman, Mats
    Linköpings universitet, Institutionen för teknik och naturvetenskap. Linköpings universitet, Tekniska högskolan.
    Salaneck, William R
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Orbital-specific dynamic charge transfer from Fe(II)-tetraphenylporphyrin molecules to molybdenum disulfide substrates2005Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 72, nr 3, s. 35448-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Orbital-specific femtosecond charge transfer dynamics between Fe(II)-tetraphenylporphyrin molecules and semimetallic molybdenum disulfide substrates is investigated using core-level resonant photoemission spectroscopy. The electronic coupling to the substrate and the efficiency of charge transport across the interface is found to be different for the individual molecular electronic subsystems. In particular, electrons excited at the phenyl substituents are transferred within 3–6 fs, while hopping from the porphyrin ring is slower than 30 fs.

  • 6.
    Doherty, Walter J
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Renouard, T.
    Institut Charles Sadron, UPR 22-CNRS, 6 Rue Boussingault, 67083 Strasbourg Cedex, France, UMR CNRS 6226, Equipe Chimie et In?nierie des Procd´s (CIP), Universit´ de Rennes 1, 263 Avenue du Gnral Leclerc, CS 74205, 35042 Rennes Cedex, France.
    Mathis, C.
    Institut Charles Sadron, UPR 22-CNRS, 6 Rue Boussingault, 67083 Strasbourg Cedex, France.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Electronic structure of Li-intercalated oligopyridines: A comparative study by photoelectron spectroscopy2007Inngår i: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 126, nr 9Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The role of nitrogen in the charge transfer and storage capacity of lithium-intercalated heterocyclic oligophenylenes was investigated using photoelectron spectroscopy. The development of new occupied states at low binding energies in the valence band region, as well as core level chemical shifts at both carbon and nitrogen sites, demonstrates partial charge transfer from lithium atoms to the organic component during formation of the intercalated compound. In small compounds, i.e., biphenyl and bipyridine derivatives, the position of the nitrogen heteroatom significantly affects the spacing between gap states in the Li-intercalated film, yet it has minimal effects on the charge storage capacity. In larger, branched systems, the presence of nitrogen in the aromatic system significantly enhances the charge storage capacity while the Li-N bond strength at high intercalation levels is significantly weakened relative to the nitrogen-free derivative. These observations have strong implications towards improved deintercalation processes in organic electrodes in lithium-ion batteries. © 2007 American Institute of Physics.

  • 7.
    Doherty, Walter J
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Layer-by-layer deposition of copper phthalocyanine from aqueous solution: Molecular orientation, ordering parameters, and electronic structure2007Inngår i: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 111, nr 6, s. 2724-2729Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Highly ordered, multilayer films composed of alternating, oppositely charged, polyionic copper phthalocyanines were prepared on HOPG [0001] substrates via layer-by-layer deposition from aqueous solution and characterized by scanning force microscopy and photoelectron spectroscopies. In films of up to four layers, individual layers alternate. Angle-resolved ultraviolet photoelectron spectra are consistent with a molecular orientation parallel to the substrate surface and indicate that structural order is reduced with film thickness © 2007 American Chemical Society.

  • 8.
    Friedlein, Rainer
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Crispin, Xavier
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för teknik och naturvetenskap.
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Braun, Slawomir
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    de Jong, Michel P
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Simpson, CD
    Watson, MD
    von Kieseritzky, F
    Samori, P
    Jonsson, SKM
    Fahlman, Mats
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Jackel, F
    Rabe, JP
    Hellberg, J
    Mullen, K
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Surface-induced vertical alignment of self-assembled supramolecular columns of large polycyclic aromatic hydrocarbons and porphyrins2004Inngår i: Synthetic metals, ISSN 0379-6779, E-ISSN 1879-3290, Vol. 147, nr 01-Mar, s. 79-83Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Ordered films of polycyclic aromatic hydrocarbons (PAHs) and porphyrins with functional (e.g. thiophene) side-groups are good candidates for (opto-)electronic applications where fast charge separation and transport are required. Such highly ordered thin films of PAHs, including discotic hexa-peri-hexabenzocoronene (HBC) and C-132-C-16,C-4, as well as brominated functionalized porphyrin molecules have been grown from solutions on semi-metallic molybdenum disulfide substrates and characterized by angle-resolved valence band photoelectron spectroscopy. A vertical growth of self-assembled supramolecular columns perpendicular to the basal plane of the substrate along with their lateral ordering on the surface has been achieved. Annealing made it possible to increase the structural order in the HBC columns, with molecules positioned at a regular offset from the columnar axis. This permitted the formation of extended pi-electronic states with a bandwidth of at least 0.1-0.2 eV at room temperature. (C) 2004 Elsevier B.V. All rights reserved.

  • 9.
    Friedlein, Rainer
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Crispin, Xavier
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för teknik och naturvetenskap.
    Pickholz, M.
    Keil, M.
    Stafström, Sven
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Beräkningsfysik.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    High intercalation levels in lithium perylene stoichiometric compounds2002Inngår i: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 354, nr 5-6, s. 389-394Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Both amorphous and polycrystalline films of the aromatic hydrocarbon perylene are found to accept as high as one lithium per 3.3±0.1 carbon atoms. Phases composed of stoichiometric compounds with two, four and six lithium atoms per molecule are observed. The intercalation involves a substantial charge transfer from the lithium atoms to the molecules. Moreover, a high binding energy of the dopant-induced valence band electronic states is observed by photoelectron spectroscopy. Those observations suggest a high energy storage capacity for small- and medium-size aromatic hydrocarbons and their potential use in batteries. © 2002 Elsevier Science B.V. All rights reserved.

  • 10.
    Friedlein, Rainer
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Crispin, Xavier
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för teknik och naturvetenskap.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Molecular parameters controlling the energy storage capability of lithium polyaromatic hydrocarbon intercalation compounds2004Inngår i: Journal of Power Sources, ISSN 0378-7753, E-ISSN 1873-2755, Vol. 129, nr 1, s. 29-33Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    One route for improving the performance of Li-based batteries is to optimize the carbon-based electrode. In order to find the best carbon-based materials, the specific roles of the molecular and solid-state contributions have to be understood. Here, the molecular contributions are analyzed. A semi-quantitative method is proposed to compare the charge storage capability of polyaromatic hydrocarbon molecules (PAHs). For planar PAHs, the ability to store electrical energy is found to be to a large extend determined by a single parameter, that is the electronic hardness (half the electronic gap) Multiplied the number of carbon atom in the molecule. A compilation of results for oligophenyls, oligoacenes and medium-size planar systems suggests trends in the dependence of the energy storage capability on the size and shape of the molecules. (C) 2003 Elsevier B.V. All rights reserved.

  • 11.
    Friedlein, Rainer
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Crispin, Xavier
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Institutionen för teknik och naturvetenskap. Linköpings universitet, Tekniska högskolan.
    Simpson, C. D.
    Max Planck Institute for Polymer Research, Germany.
    Watson, M. D.
    Max Planck Institute for Polymer Research, Germany.
    Jackel, F.
    Department of Physics, Humboldt University Berlin, Berlin, Germany.
    Osikowicz, Wojciech
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Marciniak, S.
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    de Jong, Michel P
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Samori, P.
    Department of Physics, Humboldt University Berlin, Berlin, Germany.
    Jönsson, Stina
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Institutionen för teknik och naturvetenskap. Linköpings universitet, Tekniska högskolan.
    Fahlman, Mats
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Müllen, K.
    Max Planck Institute for Polymer Research, Germany.
    Rabe, J. P.
    Department of Physics, Humboldt University Berlin, Berlin, Germany.
    Salaneck, William R
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Electronic structure of highly ordered films of self-assembled graphitic nanocolumns2003Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 68, nr 19, s. 195414-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Highly ordered, several nanometers thick films of alkylated large planar, polycyclic aromatic hydrocarbon (PAH) molecules have been grown on semi-metallic molybdenum disulfide substrates. The films are characterized by a two-dimensional lateral arrangement of columns standing at the surface on a macroscopic scale. The self-assembly of such insulated columns of face-to-face disks with surface-induced vertical alignment has been achieved directly from solution processing. Angle-resolved photoelectron spectra revealed a highly anisotropic quasi-one-dimensional electronic structure with an extended π-electronic wave function. An intermolecular dispersion of the highest occupied band of at least 0.15 eV along the stacking direction has been measured. A partial breakdown of the concept of quasimomentum due to the finite size of the nano-objects perpendicular to the stacks is observed.

  • 12.
    Friedlein, Rainer
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Crispin, Xavier
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för teknik och naturvetenskap.
    Suess, C.
    Pickholz, M.
    Center for Molecular Modeling, Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    The role of intermolecular polarization for the stability of lithium intercalation compounds of a- and ß-perylene2004Inngår i: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 121, nr 5, s. 2239-2245Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The charge transfer in Li-intercalation compounds of the polyaromatic hydrocarbon perylene was examined. It was found that the valence and core-level photoelectron spectroscopies characterized the bonding configuration of the alkali metal atoms. The effect of intermolecular polarization on the ionization potential of Li atoms was compensated by a screening of the Madelung energy. The data collected illustrated that the large charge transfer in the a-perylene was due to the lower ionization potential of lithium atoms.

  • 13.
    Friedlein, Rainer
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Sorensen, SL
    Baev, A
    Gel'mukhanov, F
    Birgerson, J
    Crispin, Annica
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    de Jong, Michel P
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Murphy, C
    Agren, H
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Role of electronic localization and charge-vibrational coupling in resonant photoelectron spectra of polymers: Application to poly(para-phenylenevinylene)2004Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 69, nr 12Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A combination of x-ray absorption and resonant photoemission (RPE) spectroscopy has been used to study the electronic structure of the one-dimensional conjugated polymer poly (para-phenylenevinylene) in nonordered (as prepared) thin films. The dispersion of RPE features for the decay to localized and delocalized bands are qualitatively different. A theory for band dispersion of RPE in polymers is given, showing the important roles of electronic state localization and vibrational (phonon) excitations for the character of the dispersion.

  • 14.
    Friedlein, Rainer
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Sorensen, S.L.
    Sörensen, S.L., Department of Synchrotron Radiation Research, Institute of Physics, Lund University, S-221 00 Lund, Sweden.
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Rosenqvist, L.
    Department of Synchrotron Radiation Research, Institute of Physics, Lund University, S-221 00 Lund, Sweden.
    Crispin, Annica
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Crispin, Xavier
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för teknik och naturvetenskap.
    de Jong, Michel P
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Murphy, C.
    CDT Ltd., Cambridge CB3 0KJ, United Kingdom.
    Fahlman, Mats
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Electronic structure of conjugated polymers and interfaces in polymer-based electronics2003Konferansepaper (Fagfellevurdert)
    Abstract [en]

    The electronic structure of conjugated polymers and interfaces in polymer-based electronics were analyzed. Fine structure were observed in the region of the first resonance with pi-final state symmetry, between 284.1 eV and 285.8 eV. The electronic transitions from the non-dispersed C(1s) level to specific parts of the unoccupied band structure were generated. It was found that for a dispersing valence band, in the presence of a core-hole, a given photon energy corresponded to an excitation into a state with a distinct wave vectors.

  • 15.
    Friedlein, Rainer
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    von Kieseritzky, Fredrik
    Braun, Slawomir
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Linde, Christian
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Hellberg, Jonas
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Solution-processed, highly-oriented supramolecular architectures of functionalized porphyrins with extended electronic states2005Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Thin films of aligned supramolecular architectures built from newly synthesized thiophene-substituted porphyrins have been processed from solution on surfaces. © The Royal Society of Chemistry 2005.

  • 16.
    J Doherty, Walter
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska högskolan.
    Sorensen, S L
    Lund University.
    Friedlein, Rainer
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi. Linköpings universitet, Tekniska högskolan.
    Selective hydrogen bond disruption in adenine monolayer films by reaction with water2009Inngår i: JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, ISSN 0368-2048, Vol. 174, nr 1-3, s. 107-109Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    High-resolution X-ray photoelectron spectroscopy of two-dimensional films of adenine on a highly oriented pyrolitic graphite [0 0 0 1] surface reveal bonding changes induced by exposure to water. The hydrogen-bond interactions between adenine molecules were replaced by adenine-water hydrogen bonds in a stepwise pattern. This reaction destroyed the film network and changed the chemical state of the nitrogen sites. The reaction with water molecules affected both the donor and acceptor states of the oxygen atoms, as compared to those in water.

  • 17. Keil, M.
    et al.
    Samori, P.
    Samorí, P., Department of Physics, Humboldt University Berlin, Invalidenstrasse 110, D-10115 Berlin, Germany.
    Dos, Santos D.A.
    Dos Santos, D.A., Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium.
    Birgerson, J.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Dkhissi, A.
    Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium.
    Watson, M.
    Max-Planck-Institut for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany.
    Mullen, K.
    Müllen, K., Max-Planck-Institut for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany.
    Bredas, J.L.
    Brédas, J.L., Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium, Department of Chemistry, University of Arizona, Tucson, AZ 85721, United States.
    Rabe, J.P.
    Department of Physics, Humboldt University Berlin, Invalidenstrasse 110, D-10115 Berlin, Germany.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    High levels of alkali-metal storage in thin films of hexa-peri-hexabenzocoronene2002Inngår i: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 116, nr 24, s. 10854-10860Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The results of the doping of molecular solid films of the medium-sized aromatic hydrocarbon hexa-peri-hexabenzocoronene (HBC), using lithium or sodium atoms were presented. The evolution of the valence band electronic structure was monitored by x-ray photoelectron spectroscopy and studied by ultraviolet photoelectron spectroscopy. Results indicated that n-doping depended on the type of alkali-metal atom employed and on the molecular order of the film. The smaller Li ion was found to have a stronger influence on the electronic structure than Na ions. These results revealed the potential use of the graphene materials in lithium-ion batteries with a high charge-storage capacity.

  • 18.
    Koch, N.
    et al.
    Humboldt-Universität zu Berlin, Institut für Physik, Newtonstrasse 15, 12489 Berlin, Germany.
    Salzmann, I.
    Humboldt-Universität zu Berlin, Institut für Physik, Newtonstrasse 15, 12489 Berlin, Germany.
    Johnson, R.L.
    Universität Hamburg, Institut für Experimentalphysik, 22761 Hamburg, Germany.
    Pflaum, J.
    Universität Stuttgart, 3. Physikalisches Institut, 70550 Stuttgart, Germany.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Rabe, J.P.
    Humboldt-Universität zu Berlin, Institut für Physik, Newtonstrasse 15, 12489 Berlin, Germany.
    Molecular orientation dependent energy levels at interfaces with pentacene and pentacenequinone2006Inngår i: Organic electronics, ISSN 1566-1199, E-ISSN 1878-5530, Vol. 7, nr 6, s. 537-545Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We used ultraviolet photoelectron spectroscopy (UPS) to investigate the energy level alignment at contacts between pentacene and Ag(1 1 1) in the presence of interfacial 6,13-pentacenequinone (PQ). Depending on the metal pre-coverage with PQ, we found evidence for three distinctly different interface morphologies and molecular orientations, accompanied by significant changes of the energy level alignment. Consequently, the hole injection barrier between pentacene and Ag(1 1 1) varied between 1.1 eV (pristine Ag) and 0.45 eV (5.4 nm PQ pre-coverage on Ag). In addition, our UPS results suggest that PQ can act as deep trap for electrons in a pentacene matrix. Depending on the exact mutual orientation of PQ and pentacene, the depth of these traps can be in the range of 0.2-0.75 eV. © 2006 Elsevier B.V. All rights reserved.

  • 19. Kuritka, I.
    et al.
    Negri, F.
    Brancolini, G.
    Suess, C.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Lithium intercalation of phenyl-capped aniline dimers: A study by photoelectron spectroscopy and quantum chemical calculations2006Inngår i: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 110, nr 38, s. 19023-19030Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Structural and electronic properties of pristine and lithium-intercalated, phenyl-capped aniline dimers as a model for the lithium-polyaniline system have been studied by photoelectron spectroscopy and quantum chemical calculations. It was found that the electronic structure of reduced and oxidized forms of oligoanilines is only weakly affected by isomerism. Upon intercalation, charge transfer from the Li-atoms is remarkable and highly localized at N-atomic sites, where configurations are energetically favored in which both N atoms of the dimers are bound to Li atoms. Conversion of nitrogen sites is different for the two forms of aniline dimers and incomplete up to high intercalation levels, indicating a pronounced role of solid-state effects in the formation of such compounds. © 2006 American Chemical Society.

  • 20.
    Luo, Y.
    et al.
    Theoretical Chemistry, Roy. Inst. of Technology, S-10044, Stockholm, Sweden.
    Agren, H.
    Ågren, H., Theoretical Chemistry, Roy. Inst. of Technology, S-10044, Stockholm, Sweden.
    Keil, M.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    A theoretical investigation of the near-edge X-ray absorption spectrum of hexa- peri -hexabenzocoronene2001Inngår i: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 337, nr 1-3, s. 176-180Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The near-edge X-ray absorption spectrum of hexa-peri-hexabenzocoronene has been simulated by density functional theory techniques using transition state and full core hole potentials. The total spectrum is found to be a composition of multiple structure in the subspectra of the symmetry unique carbons, rather than by chemically shifted single p* transitions. This quite 'fullerene-like' behavior, with only minor reminiscence of either graphite or benzene spectral features, is used to argue that long-range effects must be important to build up the dominating single excitonic p* feature in graphite. © 2001 Elsevier Science B.V.

  • 21.
    Minkov, I.
    et al.
    Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden.
    Gel'Mukhanov, F.
    Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden.
    Agren, H.
    Ågren, H., Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Suess, C.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Core excitations of biphenyl2005Inngår i: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 109, nr 7, s. 1330-1336Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    High-resolution C(1s) near-edge X-ray absorption and X-ray photoionization spectra of the free biphenyl molecule are presented and theoretically analyzed in order to allow an assignment of the observed spectral features. Finite lifetime broadening, a high density of vibrational states, and a strong overlap of contributions from chemically different carbon atom sites only partially allow resolving the vibrational fine structure. However, the shape and width of the spectral profiles are strongly determined by both chemical shifts and vibronic effects. In particular, different from photoionization of valence levels, both types of core level spectra do not contain contributions from dihedral modes which are related to the twisting motion of the two phenyl rings. Contrary to naphthalene, C-H stretching modes are significantly enhanced in the core excitation spectra of biphenyl while the contributions from C-C stretching modes are reduced. © 2005 American Chemical Society.

  • 22.
    Minkov, I.
    et al.
    Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden.
    Gel'mukhanov, F.
    Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden, Inst. of Automation and Electrometry, 630090 Novosibirsk, Russian Federation.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Suess, C.
    Ohrwall, G.
    Öhrwall, G., Department of Physics, Uppsala University, P.O. Box 530, S-751 21 Uppsala, Sweden.
    Sorensen, S.L.
    Dept. of Synchrt. Radiation Research, Institut of Physics, Lund University, P.O. Box 118, 5-221 00 Lund, Sweden.
    Braun, Slawomir
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Murdey, R.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Agren, H.
    Ågren, H., Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden.
    Core excitations of naphthalene: Vibrational structure versus chemical shifts2004Inngår i: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 121, nr 12, s. 5733-5739Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The initial state chemical shifts and vibrational fine structure of core excitations of naphthalene were analyzed using high-resolution x-ray photoelectron emission (XPS) and near-edge x-ray absorption fine structure (NEXAFS) spectra. The carbon atoms at peripheral sites were found to experience a small chemical shift and exhibit similar charge-vibrational coupling. The C-H stretching modes provide significant contributions to overall shape of spectra in the XPS spectra. The results show that vibrational fine structure dominates by particular C-C stretching modes, and in XPS of C2 and C3 sites also by high-energy C-H stretching modes.

  • 23. Oehzelt, M.
    et al.
    Resel, R.
    Suess, C.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Crystallographic and morphological characterization of thin pentacene films on polycrystalline copper surfaces2006Inngår i: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 124, nr 5, s. 54711-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The degree of crystallinity, the structure and orientation of crystallites, and the morphology of thin pentacene films grown by vapor deposition in an ultrahigh vacuum environment on polycrystalline copper substrates have been investigated by x-ray diffraction and tapping-mode scanning force microscopy (TM-SFM). Depending on the substrate temperature during deposition, very different results are obtained: While at 77 K a long-range order is missing, the films become crystalline at elevated temperatures. From a high-resolution x-ray-diffraction profile analysis, the volume-weighted size of the crystallites perpendicular to the film surface could be determined. This size of the crystallites increases strongly upon changing temperature between room temperature and 333 K, at which point the size of individual crystallites typically exceeds 100 nm. In this temperature region, three different polymorphs are identified. The vast majority of crystallites have a fiber texture with the (001) net planes parallel to the substrate. In this geometry, the molecules are oriented standing up on the substrate (end-on arrangement). This alignment is remarkably different from that on single-crystalline metal surfaces, indicating that the growth is not epitaxial. Additionally, TM-SFM images show needlelike structures which suggest the presence of at least one additional orientation of crystallites (flat-on or edge-on). These results indicate that properties of thin crystalline pentacene films prepared on technologically relevant polycrystalline metal substrates for fast electronic applications may be compromised by the simultaneous presence of different local molecular aggregation states at all temperatures. © 2006 American Institute of Physics.

  • 24.
    Osikowicz, Wojciech
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    de Jong, Michel P
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Sorensen, S.L.
    Lunds universitet.
    Groenendaal, L.
    AGFA-Gevaert.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Site-specific electronic structure of an oligo-ethylenedioxythiophene derivative probed by resonant photoemission2005Inngår i: New Journal of Physics, E-ISSN 1367-2630, Vol. 7Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A combination of conventional and resonant photoemission spectroscopy, x-ray absorption spectroscopy and ground-state quantum-chemical calculations has been used to study the valence electronic structure of a phenyl-capped 3,4-ethylenedioxythiophene oligomer, in polycrystalline thin films. The photon energy-dependent intensities of specific resonant decay channels are interpreted in terms of the spatial overlap of the excitation site and the ground-state molecular orbital involved in the decay. By making use of chemical shifts, excitations on different atomic sites are distinguished. It is demonstrated that site-specific information on the electronic structure of relatively large and complex organic systems may be obtained experimentally from non-radiative resonant decay spectra. In addition, these spectra provide relevant insight into the interpretation of near-edge x-ray absorption fine structure spectra. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.

  • 25.
    Osikowicz, Wojciech
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Van, Der Gon A.W.D.
    Van Der Gon, A.W.D., Department of Applied Physics, Eindhoven Univ. of Technology, PO Box 513, 5600 MB Eindhoven, Netherlands.
    Crispin, Xavier
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för teknik och naturvetenskap.
    de Jong, Michel P
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Groenendaal, L.
    AGFA-Gevaert N.V., R and D Mat. - Chem. Dept., Septestraat 27, B-2640 Mortsel, Belgium.
    Fahlman, Mats
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Beljonne, D.
    Serv. Chim. des Materiaux Nouveaux, CREPM, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium.
    Lazzaroni, R.
    Serv. Chim. des Materiaux Nouveaux, CREPM, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    A joint theoretical and experimental study on the electronic properties of phenyl-capped 3,4-ethylenedioxythiophene oligomers2003Inngår i: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 119, nr 19, s. 10415-10420Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The electronic structure of a series of phenyl-capped EDOT oligomers was studied using ultraviolet photoelectron spectroscopy, in combination with quantum-chemical methods. The bulk IP of the neutral PEDOT polymer was estimated to be 4.2 eV. The frontier band structue was predicted from the evolution of the spectral features in the studied series of oligomers.

  • 26.
    Palermo, V.
    et al.
    Istituto Per la Sintesi Organica e la Fotoreattività, Consiglio Nazionale Delle Ricerche, via Gobetti 101, 40129 Bologna, Italy.
    Palma, M.
    Istituto Per la Sintesi Organica e la Fotoreattività, Consiglio Nazionale Delle Ricerche, via Gobetti 101, 40129 Bologna, Italy, Nanochemistry Laboratory, Institut de Science et d'Ingénierie Supramoléculaires (ISIS), Université Louis Pasteur, 8, allée Gaspard Monge, 67083 Strasbourg, France.
    Tomovic, Z.
    Tomovic, Ž., Max-Planck Institute for Polymer Research, Ackermannweg 10, 55124 Mainz, Germany.
    Watson, M.D.
    Max-Planck Institute for Polymer Research, Ackermannweg 10, 55124 Mainz, Germany, Department of Chemistry, University of Kentucky, Lexington, KY 40506-0055, United States.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Mullen, K.
    Müllen, K., Max-Planck Institute for Polymer Research, Ackermannweg 10, 55124 Mainz, Germany.
    Samori, P.
    Samorì, P., Istituto Per la Sintesi Organica e la Fotoreattività, Consiglio Nazionale Delle Ricerche, via Gobetti 101, 40129 Bologna, Italy, Nanochemistry Laboratory, Institut de Science et d'Ingénierie Supramoléculaires (ISIS), Université Louis Pasteur, 8, allée Gaspard Monge, 67083 Strasbourg, France.
    Influence of molecular order on the local work function of nanographene architectures: A Kelvin-probe force microscopy study2005Inngår i: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641, Vol. 6, nr 11, s. 2371-2375Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We report a Kelvin-probe force microscopy (KPFM) investigation on the structural and electronic properties of different submicronscale supramolecular architectures of a synthetic nanographene, including extended layers, percolated networks and broken patterm grown from solutions at surfaces. This study made it possible to determine the local work function (WF) of the different p-conjugated nanostructures adsorbed on mica with a resolution below 10 nm and 0.05 eV. It revealed that the WF strongly depends on the local molecular order at the surface, in particular on the delocalization of electrons in the p-states, on the molecular orientation at surfaces, on the molecular packing density, on the presence of defects in the film and on the different conformations of the aliphatic peripheral chains that might cover the conjugated core. These results were confirmed by comparing the KPFM-estimated local WF of layers supported on mica, where the molecules are preferentially packed edge-on on the substrate, with the ultraviolet photoelectron spectroscopy microscopically measured WF of layers adsorbed on graphite, where the molecules should tend to assemble face-on at the surface. It appears that local WF studies are of paramount importance for understanding the electronic properties of active organic nanostructures, being therefore fundamental for the building of high-performance organic electronic devices, including field-effect transistors, light-emitting diodes and solar cells. © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.

  • 27. Samori, P.
    et al.
    Keil, M.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Birgerson, J.
    Watson, M.
    Mullen, K.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Rabe, J.P.
    Growth of ordered hexakis-dodecyl-hexabenzocoronene layers from solution: A SFM and ARUPS study2001Inngår i: Journal of Physical Chemistry B, ISSN 1089-5647, Vol. 105, nr 45, s. 11114-11119Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The layer growth of a polycyclic aromatic hydrocarbon moiety, hexakis-dodecyl-hexabenzocoronene (HBC-C12), from solution onto a conductive flat solid substrate has been studied. Scanning Force Microscopy (SFM), together with the analysis of the intensities of p-structures in spectra of Angle-Resolved Ultraviolet Photoelectron Spectroscopy (ARUPS) measurements, revealed that the HBC-C12 molecules can self-assemble as dry layers with the conjugated disklike molecules lying flat on the (0001) plane of highly oriented pyrolitic graphite (HOPG). By varying the rate of the molecular physisorption it was possible to orient these molecular architectures along preferential directions according to the symmetry of the substrate. Additionally, the film morphology is affected by the concentration of the solution. This indicates that the growth of these organic layers on HOPG is a kinetically governed process which, if carried out sufficiently slowly, leads to the growth of hetero-epitaxial crystallites.

  • 28.
    Sanchez-Carrera, R.S.
    et al.
    Sánchez-Carrera, R.S., School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400.
    Coropceanu, V.
    School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400.
    Da, Silva Filho D.A.
    Da Silva Filho, D.A., School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Osikowicz, Wojciech
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Murdey, R.
    Suess, C.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Bredas, J.-L.
    Brédas, J.-L., School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400.
    Vibronic coupling in the ground and excited states of oligoacene cations2006Inngår i: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 110, nr 38, s. 18904-18911Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The vibrational coupling in the ground and excited states of positively charged naphthalene, anthracene, tetracene, and pentacene molecules is studied on the basis of a joint experimental and theoretical study of ionization spectra using high-resolution gas-phase photoelectron spectroscopy and first-principles correlated quantum-mechanical calculations. Our theoretical and experimental results reveal that, while the main contribution to relaxation energy in the ground state of oligoacene systems comes from high-energy vibrations, the excited-state relaxation energies show a significant redistribution toward lower-frequency vibrations. A direct correlation is found between the nature of the vibronic interaction and the pattern of the electronic state structure. © 2006 American Chemical Society.

  • 29.
    Yamane, H.
    et al.
    Faculty of Engineering, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan.
    Nagamatsu, S.
    Graduate School of Science and Technology, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan.
    Fukagawa, H.
    Graduate School of Science and Technology, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan.
    Kera, S.
    Faculty of Engineering, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan, Graduate School of Science and Technology, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Okudaira, K.K.
    Faculty of Engineering, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan, Graduate School of Science and Technology, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan.
    Ueno, N.
    Faculty of Engineering, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan, Graduate School of Science and Technology, Chiba University, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan.
    Hole-vibration coupling of the highest occupied state in pentacene thin films2005Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 72, nr 15Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The hole-vibration coupling of the highest occupied state in pentacene thin films on graphite is studied by high-resolution ultraviolet photoelectron spectroscopy. Vibration satellites in the film show a take-off-angle dependence, indicating that the Franck-Condon principle is not strictly satisfied in this system. They are more intense than in the gas phase and the vibrational energy in the film is slightly lower than that in the gas phase. This demonstrates that the reorganization energy in pentacene thin films is slightly larger than that estimated from the photoelectron spectrum of free pentacene molecules. Furthermore, it is pointed out that the electron hopping in the low-temperature film may occur in the femtosecond scale before the electronic polarization of the surrounding medium is completed. © 2005 The American Physical Society.

  • 30. Yamane, H.
    et al.
    Nagamatsu, S.
    Fukagawa, H.
    Kera, S.
    Okudaira, K. K.
    Ueno, N.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Hole-vibration coupling in the uppermost valence band photoemission of pentacene monolayer on graphite2006Inngår i: MOLECULAR CRYSTALS AND LIQUID CRYSTALS, ISSN 1542-1406, Vol. 455, s. 235-240Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The hole-vibration coupling of the highest occupied state in pentacene thin films on graphite was studied by high-resolution ultraviolet photoemission spectroscopy. It was found that vibration satellites in the film are more intense than that in the gas phase and the vibrational energy in the film is slightly lower than that in the gas phase. This demonstrates that the reorganization energy (hole mobility) in the pentacene thin film is slightly larger (smaller) than that expected from the photoemission spectrum of free pentacene molecules.

  • 31.
    Zhi, L.
    et al.
    Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
    Gorelik, T.
    Institute of Physical Chemistry, Johannes Gutenberg Universität, 55128 Mainz, Germany.
    Friedlein, Rainer
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Wu, J.
    Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
    Kolb, U.
    Institute of Physical Chemistry, Johannes Gutenberg Universität, 55128 Mainz, Germany.
    Salaneck, William R
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi.
    Mullen, K.
    Müllen, K., Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
    Solid-state pyrolyses of metal phthalocyanines: A simple approach towards nitrogen-doped CNTs and metal/carbon nanocables2005Inngår i: Small, ISSN 1613-6810, Vol. 1, nr 8-9, s. 798-801Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Solid-state pyrolysis of organometallic precursors has emerged as an alternative method for preparing carbon nanostructures such as carbon nanotubes (CNT) and carbon anions. The morphology of the tubes can be controlled by the nature of the precursors and the pyrolysis procedures, and micrometer long nanotubes, composed of metal carbide wires encased in a graphitic sheath. Cobalt phthalocyanine (CoPc) as well as iron phthalocyanine were pyrolyzed at different temperatures to obtain CNTs. HRTEM and energy-dispersion X-Ray analysis disclosed that the core consisted of long, iron-containing single crystals and that the core was fully surrounded by crystallized graphic carbon. Iron-filled carbon nanotubes were also obtained from the pyrolysis of ferrocene by CVD method. Encapsulated iron carbide were also observed inside the carbon nanotubes formed after pyrolysis of FePc. These nanotubes and nanocables were considered useful for assembling miniaturized electronic device and sensors.

1 - 31 of 31
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