ChemPhysChem

Cover image for Vol. 14 Issue 11

August 5, 2013

Volume 14, Issue 11

Pages 2353–2600

  1. Cover Pictures

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
    1. You have free access to this content
      Cover Picture: Harnessing Light with Photonic Nanowires: Fundamentals and Applications to Quantum Optics (ChemPhysChem 11/2013) (page 2353)

      Dr. Julien Claudon, Dr. Niels Gregersen, Dr. Philippe Lalanne and Prof. Jean-Michel Gérard

      Article first published online: 29 JUL 2013 | DOI: 10.1002/cphc.201390051

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      Artist view of an optical antenna based on a tailored photonic wire, as it is discussed by J. Claudon et al. on p. 2393. The antenna exploits both the broadband spontaneous emission control offered by a single-mode photonic wire and the engineering of its far-field emission, using a planar mirror and a top conical taper. By inserting a quantum dot inside the wire, one realizes a very bright single-photon source. Beyond this first application, such a structure opens appealing perspectives for the future developments of solid-state quantum optics.

    2. You have free access to this content
      Inside Cover: Fast Ion Transport and Phase Separation in a Mechanically Driven Flow of Electrolytes through Tortuous Sub-Nanometer Nanochannels (ChemPhysChem 11/2013) (page 2354)

      Prof. Ling Liu and Prof. Xi Chen

      Article first published online: 29 JUL 2013 | DOI: 10.1002/cphc.201390052

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      Molecular dynamics simulations reveal that the pressurized transport of electrolyte solutions through nanoporous materials (e.g. zeolites) can separate ions from the solvent due to the coupling of the structural and flow characteristics, as explained on p. 2413 by L. Liu and X. Chen.

  2. Graphical Abstract

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
    1. Graphical Abstract: ChemPhysChem 11/2013 (pages 2355–2364)

      Article first published online: 29 JUL 2013 | DOI: 10.1002/cphc.201390053

  3. Editors' Selection

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
    1. Editors' Selection: ChemPhysChem 11/2013 (page 2365)

      Article first published online: 29 JUL 2013 | DOI: 10.1002/cphc.201390054

  4. News

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
  5. Review

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
    1. The Registry Index: A Quantitative Measure of Materials′ Interfacial Commensurability (pages 2376–2391)

      Dr. Oded Hod

      Article first published online: 18 JUN 2013 | DOI: 10.1002/cphc.201300259

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      Simply sliding: The study of nanoscale tribology offers great potential in the fields of friction, wear, and lubrication. By considering a variety of hexagonal layered materials, including graphene, hexagonal boron nitride, and molybdenum disulfide, it is shown how a simple geometrical parameter, named the “registry index”, can capture the interlayer sliding energy landscape (see picture) as calculated by using advanced electronic structure methods as well as experimentally measured frictional behavior.

  6. Minireview

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
    1. Harnessing Light with Photonic Nanowires: Fundamentals and Applications to Quantum Optics (pages 2393–2402)

      Dr. Julien Claudon, Dr. Niels Gregersen, Dr. Philippe Lalanne and Prof. Jean-Michel Gérard

      Article first published online: 19 JUN 2013 | DOI: 10.1002/cphc.201300033

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      Fire the photons: Photonic nanowire antennas efficiently funnel the emission of an embedded quantum light source into a directive optical beam. In this Minireview, the physics and realization of such devices are discussed. The authors consider both bottom-up and top-down fabrication routes and review potential applications to solid-state quantum optics and beyond.

  7. Communications

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
    1. Dissolution Kinetics of Nanocrystals (pages 2403–2406)

      Marek Petrik and Prof. Dr. Bernd Harbrecht

      Article first published online: 3 MAY 2013 | DOI: 10.1002/cphc.201300352

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      A simple series of test-tube experiments is all it takes to quantify a largely neglected nano-effect responsible for a dramatic increase—by orders of magnitude—in the surface-area-normalized rate of dissolution of nanocrystals. Though the observed variation in this specific rate as a function of size is unprecedented, the effect may be rationalized in terms of the classic atomistic theory of crystal growth and dissolution.

    2. Extracellular Electron Transfer of a Highly Adhesive and Metabolically Versatile Bacterium (pages 2407–2412)

      Dr. Huan Liu, Dr. Masahito Ishikawa, Dr. Shoichi Matsuda, Yuki Kimoto, Prof. Katsutoshi Hori, Prof.Prof. Kazuhito Hashimoto and Prof. Shuji Nakanishi

      Article first published online: 28 JUN 2013 | DOI: 10.1002/cphc.201300207

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      Bacterial adhesion to a solid plays a predominant role in mediating the extracellular electron transfer for genus Acinetobactor, a metabolically versatile bacterium that can couple toluene degradation and electricity generation.

  8. Articles

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
    1. Fast Ion Transport and Phase Separation in a Mechanically Driven Flow of Electrolytes through Tortuous Sub-Nanometer Nanochannels (pages 2413–2418)

      Prof. Ling Liu and Prof. Xi Chen

      Article first published online: 3 MAY 2013 | DOI: 10.1002/cphc.201300201

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      Check my flow: The coupled structural and flow characteristics of electrolytes in torturous sub-nanometer confinement are illustrated by simulating the mechanically driven flow of a NaCl solution in a zeolite-type nanochannel system. Ion transport is faster than the transport of water molecules, thus leading to phase separation. However, neither of these phenomena are observed in a straight silica nanotube.

    2. Ozone-Induced Band Bending on Metal-Oxide Surfaces Studied under Environmental Conditions (pages 2419–2425)

      Dr. Markus Lampimäki, Dr. Veronika Zelenay, Dr. Adéla Křepelová, Dr. Zhi Liu, Rui Chang, Dr. Hendrik Bluhm and Dr. Markus Ammann

      Article first published online: 5 JUN 2013 | DOI: 10.1002/cphc.201300418

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      Bind until you bend: Ozone-adsorption-induced band bending is observed on Ti- and Fe-oxide surfaces under dry and humid conditions. X-ray photoelectron spectroscopy results indicate that O3 adsorption and decomposition proceed via a mechanism including a reversibly adsorbed precursor. These results contribute to the fundamental understanding of O3 adsorption and decomposition mechanisms on oxides of environmental and technological relevance.

    3. Effect of Non-Specifically Adsorbed Ions on the Surface Oxidation of Pt(111) (pages 2426–2431)

      Dr. Masashi Nakamura, Yo Nakajima, Prof. Dr. Nagahiro Hoshi, Dr. Hiroo Tajiri and Dr. Osami Sakata

      Article first published online: 28 JUN 2013 | DOI: 10.1002/cphc.201300404

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      Keeping it smooth: Oxidation processes of a Pt(111) electrode depend on non-specifically adsorbed cations. In aqueous LiOH, an OH adlayer is formed in the first oxidation step of Pt(111), whereas Pt oxidation proceeds without OH formation in CsOH solution (see picture). Li+ protects against surface roughening due to subsurface oxidation, whereas irreversible surface roughening occurs in the case of Cs+.

    4. Spontaneous Emergence of Chirality in the Limited Enantioselectivity Model: Autocatalytic Cycle Driven by an External Reagent (pages 2432–2440)

      Celia Blanco, Dr. Joaquim Crusats, Dr. Zoubir El-Hachemi, Prof. Albert Moyano, Dr. David Hochberg and Prof. Josep M. Ribó

      Article first published online: 2 JUL 2013 | DOI: 10.1002/cphc.201300350

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      The emergence of chirality, as a stationary final state, may occur in a cyclic limited enantioselectivity reaction network if an external reagent (X,Y) drives the reaction of the limited inhibition stage (see picture). An example is a scenario implying CN addition to an imine, α-amino nitrile hydrolysis to an amino acid (Strecker synthesis), and Strecker oxidative amino acid decarboxylation to the imine.

    5. Structural Transformation of Bovine Serum Albumin Induced by Dimethyl Sulfoxide and Probed by Fluorescence Correlation Spectroscopy and Additional Methods (pages 2441–2449)

      Ashok Pabbathi, Satyajit Patra and Prof. Anunay Samanta

      Article first published online: 18 JUN 2013 | DOI: 10.1002/cphc.201300313

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      Leaving the fold: The effect of dimethyl sulfoxide (DMSO) concentration on the structure and conformational dynamics of bovine serum albumin (BSA) protein is studied by fluorescence correlation spectroscopy measurements by monitoring the changes in the hydrodynamic radius Rh and relaxation time τR of the protein (see picture).

    6. Influence of the Delocalization Error and Applicability of Optimal Functional Tuning in Density Functional Calculations of Nonlinear Optical Properties of Organic Donor–Acceptor Chromophores (pages 2450–2461)

      Haitao Sun and Prof. Dr. Jochen Autschbach

      Article first published online: 11 JUN 2013 | DOI: 10.1002/cphc.201300256

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      Functional performance: Hybrid density functionals with range-separated exchange are applied to calculations of the first hyperpolarizability and charge-transfer excitations of linear push–pull donor–acceptor-substituted molecules with extended π-conjugated bridges. The delocalization error is quantified by calculations with fractional electron numbers and by orbital localizations (see figure for dimethyl-4-(4-nitrostyryl)aniline).

    7. Interaction of ZnII Porphyrin with TiO2 Nanoparticles: From Mechanism to Synthesis of Hybrid Nanomaterials (pages 2462–2469)

      Dr. Jolanda Spadavecchia, Dr. Christophe Méthivier, Dr. Jessem Landoulsi and Dr. Claire-Marie Pradier

      Article first published online: 2 JUL 2013 | DOI: 10.1002/cphc.201300193

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      A one-step protocol, developed on the basis of using complementary surface characterization techniques to study the interaction of Zn porphyrin (ZnPP) with TiO2 flat and nanoparticle (NP) surfaces, is used to synthesize hybrid ZnPP-TiO2 nanoparticles (NPs) in which ZnPP molecules are presumably involved in the TiO2 lattice rather than on the NP surface (see picture).

    8. A Bipodal Dicyano Anchor Unit for Single-Molecule Spintronic Devices (pages 2470–2475)

      Dr. Yuta Tsuji, Takayuki Semoto and Prof. Kazunari Yoshizawa

      Article first published online: 5 JUN 2013 | DOI: 10.1002/cphc.201300136

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      Get a grip! A new type of anchor unit based on the dicyano group is proposed by using sophisticated first-principles quantum chemical calculations. The energy of the LUMO is lowered by the electron-withdrawing dicyano anchor group. This low-lying LUMO level plays a crucial role in determining the spin filtering efficiency of molecular junctions (see picture).

    9. Optimizing the Acquisition and Analysis of Confocal Images for Quantitative Single-Mobile-Particle Detection (pages 2476–2490)

      Dr. Ouided Friaa, Melissa Furukawa, Aisha Shamas-Din, Dr. Brian Leber, Dr. David W. Andrews and Dr. Cécile Fradin

      Article first published online: 3 JUL 2013 | DOI: 10.1002/cphc.201201047

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      Upwardly mobile: Diffusing particles appear as horizontal streaks in confocal images. The properties of the streaks are related to the fluorescence properties of the particles (mobility, specific brightness). A new theoretical framework is used to discuss optimal acquisition and analysis strategies of the confocal images, which allows a quantification of the single-mobile-particle properties within the concentration range 1–100 pM.

    10. Adsorption Sequence of Multifunctional Groups: A Study on the Reaction Pathway and the Adsorption Structure of Homocysteine on the Ge(100) Surface (pages 2491–2496)

      Youngchan Park, Myungjin Lee and Prof. Hangil Lee

      Article first published online: 31 MAY 2013 | DOI: 10.1002/cphc.201300124

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      Who is first? The adsorption mechanism of homocysteine on a Ge(100) surface is investigated along with its electronic structures and adsorption geometries to determine the sequence of adsorption of this amino acid′s functional groups using core-level photoemission spectroscopy and density functional theory calculations. The “SH-dissociated OH-dissociated N-dative-bonded structure” is found to be the most stable structure.

    11. Simultaneously Probing Two Ultrafast Condensed-Phase Molecular Symmetry Breaking Events by Two-Dimensional Infrared Spectroscopy (pages 2497–2504)

      Dr. Fan Yang , Pengyun Yu , Dr. Juan Zhao and Prof. Dr. Jianping Wang

      Article first published online: 24 MAY 2013 | DOI: 10.1002/cphc.201300094

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      Equilibrium and dynamical symmetry breaking processes that coexist on the picosecond timescale for the highly symmetric hexacyanocobaltate anion in solution are simultaneously observed and dynamically characterized for the first time by ultrafast two-dimensional infrared spectroscopy (see picture).

    12. Direct Observation of the Electroadsorptive Effect on Ultrathin Films for Microsensor and Catalytic-Surface Control (pages 2505–2510)

      Prof. Dr. Theodor Doll, Dr. Juan J. Velasco-Velez , Dr. Dirk Rosenthal, Dr. Jonathan Avila  and Prof. Dr. Victor Fuenzalida

      Article first published online: 17 MAY 2013 | DOI: 10.1002/cphc.201201013

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      Time-series XPS measurements in combination with conductivity analysis on the adsorption of NO2/O2 on compact and porous SnO2 thin films (see picture) allow for the direct observation of the electroadsorptive effect. Diffusion of NOx species to the surface during the experiment is clearly seen for the porous layers.

    13. Structure and Stability of (NG)nCN3Be3+ Clusters and Comparison with (NG)BeY0/+ (pages 2511–2517)

      Sudip Pan, Said Jalife, R. Mahesh Kumar, Dr. Venkatesan Subramanian, Prof. Gabriel Merino and Prof. Pratim K. Chattaraj

      Article first published online: 3 JUN 2013 | DOI: 10.1002/cphc.201300357

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      Catching noble-gas atoms: Ab initio and density functional studies reveal that CN3Be3+ clusters can bind up to four noble gas (NG) atoms. These (NG)nCN3Be3+ clusters are experimentally viable, particularly at low temperature.

    14. Ferric Phosphate Hydroxide Microcrystals for Highly Efficient Visible-Light-Driven Photocatalysts (pages 2518–2524)

      Prof. XiaoJin Wang, Prof. Huan Pang, Dr. Shanshan Zhao, Dr. Weifang Shao, Dr. Bo Yan, Dr. Xinran Li, Prof. Sujuan Li, Prof. Jing Chen and Prof. Weimin Du

      Article first published online: 18 JUN 2013 | DOI: 10.1002/cphc.201300331

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      Iron power: Fe4(OH)3(PO4)3 microcrystals are synthesized by a simple hydrothermal method. These materials present different photocatalytic activities for the visible-light-driven photodegragadation of methylene blue.

    15. An Interpretation of the “Anomalous” Changes in the Low-Wavenumber Range of the Raman Spectra of L-Alanine Crystals (pages 2525–2528)

      Prof. Dr. Boris A. Kolesov and Prof. Dr. Elena V. Boldyreva

      Article first published online: 31 MAY 2013 | DOI: 10.1002/cphc.201300294

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      The “anomalous” effects observed on the temperature and pressure variations in the changes of intensities and wavenumbers of the two lowest-wavenumber bands in the polarized Raman spectra of L-alanine single crystals can be interpreted in a simple way without any assumptions on the “phase transitions” or a “dynamic localization of the vibrational energy”.

    16. pH- and Voltage-Switchable Superhydrophobic Surfaces by Electro-Copolymerization of EDOT Derivatives Containing Carboxylic Acids and Long Alkyl Chains (pages 2529–2533)

      Dr. Thierry Darmanin and Prof. Frederic Guittard

      Article first published online: 29 MAY 2013 | DOI: 10.1002/cphc.201300283

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      pH- and voltage-switchable superhydrophobic surfaces are obtained by electrodeposition of conducting polymers bearing carboxylic acids and dodecyl chains. The electrochemical reduction (voltage switch) allows the removal of the doping anions while the treatment with NaOH (pH switch) allows one to change the carboxylic groups into carboxylate groups.

    17. Active Skeletal Ni Catalysts Prepared from an Amorphous Ni-Zr Alloy in the Pre-Crystallization State (pages 2534–2538)

      Ai Nozaki, Prof. Dr. Takashi Kamegawa, Tetsutaro Ohmichi and Prof. Dr. Hiromi Yamashita

      Article first published online: 29 MAY 2013 | DOI: 10.1002/cphc.201300260

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      Down to the bones: Catalytic activities of skeletal Ni catalysts prepared from amorphous NiZr (a-NiZr) heated at various temperatures and followed by an HF treatment are investigated. It is shown that the activities are strongly affected by the thermal treatment temperature, whereby temperatures somewhat lower than those needed for crystallization of a-NiZr are the ones leading to a most effective activity enhancement.

    18. Probing the γ-Turn in a Short Proline Dipeptide Chain (pages 2539–2543)

      Dr. Carlos Cabezas, Marcelino Varela and Prof. José L. Alonso

      Article first published online: 6 MAY 2013 | DOI: 10.1002/cphc.201300250

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      Taking turns: The small peptide derived from proline, N-acetyl-prolinamide (Ac-Pro-NH2), is investigated using a combination of Fourier transform microwave spectroscopy with laser ablation. Spectral signatures belonging to only one conformer are detected in the supersonic expansion. Rotational constants and nuclear quadrupole coupling constants of the two 14N nuclei are used in the characterization of a γ-turn structure in the gas phase.

    19. A Versatile Approach towards the Compaction, Decompaction, and Immobilization of DNA at Interfaces by Using Cyclodextrins (pages 2544–2553)

      Dr. Alfredo González-Pérez and Prof. Juan M. Ruso

      Article first published online: 17 MAY 2013 | DOI: 10.1002/cphc.201300234

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      Die another DNA: The decompaction of the DNA/hexadecyltrimethylammonium bromide (CTAB) complex is strongly influenced by the concentration of β-cyclodextrin (CD) and by the reaction temperature, owing to a subtle balance between the hydration of the complex and the lower compressibility of the native structures. Moreover, the formation of self-assembled layers of β-CD/CTAB complexes on glass or mica surfaces facilitates the immobilization of DNA, either in its coil or globule conformations (see picture).

    20. Dynamics of Monolayer–Island Transitions in 2,7-Dioctyl-benzothienobenzthiophene Thin Films (pages 2554–2559)

      Michael Dohr, Dr. Oliver Werzer, Quan Shen, Dr. Ingo Salzmann, Prof. Dr. Christian Teichert, Dr. Christian Ruzié, Dr. Guillaume Schweicher, Prof. Dr. Yves Henri Geerts, Prof. Dr. Michele Sferrazza and Prof. Dr. Roland Resel

      Article first published online: 27 MAY 2013 | DOI: 10.1002/cphc.201300227

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      Keeping order: Highly ordered monolayers of conjugated molecules can be prepared by solution processing and subsequent annealing in the liquid-crystalline state. The initially disordered layer obtained by spin-coating can be transferred to two-dimensional crystals on a surface (see picture). Dewetting of the monolayer from the substrate is prevented by kinetic effects during fast cooling to room temperature.

    21. Characterization of Thermally Stable Brønsted Acid Sites on Alumina-Supported Niobium Oxide after Calcination at High Temperatures (pages 2560–2569)

      Tomoyuki Kitano, Dr. Tetsuya Shishido, Dr. Kentaro Teramura and Prof. Dr. Tsunehiro Tanaka

      Article first published online: 19 JUN 2013 | DOI: 10.1002/cphc.201300189

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      Taking the heat: Thermally stable Brønsted acid sites are generated on Nb2O5/Al2O3 after calcination at high temperatures. Spectroscopic analysis shows that niobium oxide is supported as a monolayer domain and that the domains increase with increased loading up to 16 wt %. The Brønsted acid sites are generated at the boundaries of the niobium-oxide monolayer domains.

    22. Impact of the Chirality and Curvature of Carbon Nanostructures on Their Interaction with Aromatics and Amino Acids (pages 2570–2578)

      Deivasigamani Umadevi and Dr. G. Narahari Sastry

      Article first published online: 3 MAY 2013 | DOI: 10.1002/cphc.201300089

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      All wrapped up: Planar graphene exhibits stronger binding with aromatic molecules than curved carbon nanotubes, whereas zigzag carbon nanotubes appear to show stronger binding affinity than armchair carbon nanotubes. The polarizability and HOMO energy of the carbon nanotubes are found to be the key factors that determine the binding energies.

    23. First-Principles Investigation of Anisotropic Electron and Hole Mobility in Heterocyclic Oligomer Crystals (pages 2579–2588)

      Dr. Jin-Dou Huang and Dr. Shu-Hao Wen

      Article first published online: 29 MAY 2013 | DOI: 10.1002/cphc.201300085

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      Hopping mad! The charge-carrier transport properties of oligothiophenes (nTs) and oligopyrroles (nPs) are theoretically investigated. The results show that nTs as well as nPs exhibit high intrinsic hole-transfer mobilities and that they should have good prospects as p-type organic semiconductor materials (see figure for 7P). The results also show that the nTs have potential as n-type or ambipolar organic semiconductors.

    24. Study on Nanobubble Generation: Saline Solution/Water Exchange Method (pages 2589–2593)

      Minghuan Liu, Wanchen Zhao, Shuo Wang, Wen Guo, Yuzhao Tang and Yaming Dong

      Article first published online: 18 JUN 2013 | DOI: 10.1002/cphc.201201032

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      Repeatable nanobubble generation on a highly ordered pyrolytic graphite surface can be achieved by replacing water with saline solution or saline solution with water (see picture). Interestingly, nanobubbles are also observed by atomic force microscopy when saline liquids of different concentrations and valences are employed.

  9. Correspondence

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Review
    7. Minireview
    8. Communications
    9. Articles
    10. Correspondence
    1. Response to the Comments by L. O. Björn on our Paper “Catalytic Efficiency of a Photoenzyme—An Adaptation to Natural Light Conditions” (pages 2598–2600)

      Dr. Gudrun Hermann, Prof. Dr. Michael Schmitt, Prof. Dr. Benjamin Dietzek and Prof. Dr. Jürgen Popp

      Article first published online: 24 MAY 2013 | DOI: 10.1002/cphc.201300374

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