physica status solidi (b)

Cover image for Vol. 250 Issue 6

Special Issue: Metal—Substrate Interactions in Heterogeneous Catalysis

June 2013

Volume 250, Issue 6

Pages 1065–1243

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
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      Front Cover: Neural network potentials for metals and oxides – First applications to copper clusters at zinc oxide (Phys. Status Solidi B 6/2013)

      Nongnuch Artrith, Björn Hiller and Jörg Behler

      Article first published online: 4 JUN 2013 | DOI: 10.1002/pssb.201370539

      Thumbnail image of graphical abstract

      The development of reliable interatomic potentials for large-scale molecular dynamics simulations of chemical processes at surfaces and interfaces is a formidable challenge because a wide range of atomic environments and very different types of bonding can be present. In recent years interatomic potentials based on artificial neural networks (NN) have emerged offering an unbiased approach to the construction of potential energy surfaces for systems that are difficult to describe by conventional potentials. Artrith, Hiller and Behler (pp. 1191–1203) review the basic properties of NN potentials and describe their construction for materials like metals and oxides. The accuracy and efficiency are demonstrated using copper and zinc oxide as benchmark systems. First results for a potential of the combined ternary CuZnO system aiming at the description of oxide-supported copper clusters are reported.

  2. Back Cover

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    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
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      Back Cover: (Phys. Status Solidi B 6/2013)

      Article first published online: 4 JUN 2013 | DOI: 10.1002/pssb.201370540

      Thumbnail image of graphical abstract

      Within the SFB 558 research centre (see Preface on pp. 1069–1070), fundamental and applied aspects of metal-substrate interactions in Cu/ZnO and Au/TiO2 catalysts were investigated, which are a key topic in heterogeneous catalysis. In many cases the oxide supporting the metal nanoparticles is not inert, but influences the reactivity of the exposed metallic sites or even takes part in the reactions itself. Kinetic, spectroscopic and structural investigations were performed using polycrystalline composites, model catalysts comprising single crystals, cluster compounds, colloids and metal nanoparticles deposited within porous matrices such as carbon nanotubes (CNTs) and metal-organic frameworks (MOFs). These experimental findings had to be correlated with state-of-the-art ab initio quantum chemical calculations, carried out using wave-function based methods as well as density functional theory (DFT). In addition to electronic structure calculations also advanced molecular dynamics methods and neural networks were applied. The knowledge about the single crystal surfaces of ZnO and TiO2 was advanced substantially within the SFB 558, and fundamental new insights were gained in the hydrogenation of CO and CO2 over Cu and ZnO, the interplay between ZnO and Cu, and the role of the perimeter sites for the activation of the reactants on Au/ZnO and Au/TiO2.

  3. Issue Information

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
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      Issue Information

      Article first published online: 4 JUN 2013 | DOI: 10.1002/pssb.201370541

  4. Contents

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
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      Content (Phys. Status Solidi B 3/2013) (pages 1065–1067)

      Article first published online: 4 JUN 2013 | DOI: 10.1002/pssb.201370542

  5. Recent and forthcoming publications in pss

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
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  6. Preface

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
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  7. Feature Articles

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
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    1. Elucidating elementary processes at Cu/ZnO interfaces: A microscopical approach (pages 1071–1080)

      Andreas Zychma, Renate Wansing, Vadim Schott, Ulrich Köhler, Christof Wöll, Martin Muhler and Alexander Birkner

      Article first published online: 25 FEB 2013 | DOI: 10.1002/pssb.201248513

    2. Metal–supported catalysts encapsulated in mesoporous solids: Challenges and opportunities of a model concept (pages 1081–1093)

      Wolfgang Grünert, Hermann Gies, Martin Muhler, Sebastian Polarz, Christian W. Lehmann, Dennis Großmann, Maurits van den Berg, Olga P. Tkachenko, Andrea De Toni, Ilya Sinev, Mahuya Bandyopadhyay, Vaishali Narkhede, Axel Dreier, Konstantin V. Klementiev, Alexander Birkner and Elke Löffler

      Article first published online: 17 APR 2013 | DOI: 10.1002/pssb.201248454

  8. Original Papers

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
    1. Gas-phase oxidation of 2-propanol over Au/TiO2 catalysts to probe metal–support interactions (pages 1094–1106)

      Marie C. Holz, Kevin Kähler, Katharina Tölle, André C. van Veen and Martin Muhler

      Article first published online: 22 MAR 2013 | DOI: 10.1002/pssb.201248504

    2. Selective oxidation of ethanol in the liquid phase over Au/TiO2 (pages 1107–1118)

      Denise Heeskens, Pedram Aghaei, Stefan Kaluza, Jennifer Strunk and Martin Muhler

      Article first published online: 21 MAY 2013 | DOI: 10.1002/pssb.201248440

  9. Feature Articles

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
    1. MOF-FF – A flexible first-principles derived force field for metal-organic frameworks (pages 1128–1141)

      Sareeya Bureekaew, Saeed Amirjalayer, Maxim Tafipolsky, Christian Spickermann, Tapta Kanchan Roy and Rochus Schmid

      Article first published online: 1 MAR 2013 | DOI: 10.1002/pssb.201248460

    2. Ionic liquids for the synthesis of metal nanoparticles (pages 1152–1164)

      Kai Richter, Paul S. Campbell, Tobias Baecker, Agnes Schimitzek, Damla Yaprak and Anja-Verena Mudring

      Article first published online: 22 APR 2013 | DOI: 10.1002/pssb.201248547

  10. Original Paper

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
  11. Feature Articles

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
    1. Methanol synthesis on ZnO from molecular dynamics (pages 1174–1190)

      Johannes Frenzel, Janos Kiss, Nisanth N. Nair, Bernd Meyer and Dominik Marx

      Article first published online: 6 MAR 2013 | DOI: 10.1002/pssb.201248446

    2. Vibrational spectroscopic studies on pure and metal-covered metal oxide surfaces (pages 1204–1221)

      Heshmat Noei, Lanying Jin, Hengshan Qiu, Mingchun Xu, Youkun Gao, Jianli Zhao, Max Kauer, Christof Wöll, Martin Muhler and Yuemin Wang

      Article first published online: 16 JAN 2013 | DOI: 10.1002/pssb.201248534

  12. Original Papers

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
    1. The thermally induced interaction of Cu and Au with ZnO single crystal surfaces (pages 1222–1234)

      Ulrich Köhler, Martin Kroll, Thomas Löber, Alexander Birkner, Vadim Schott and Christof Wöll

      Article first published online: 21 MAY 2013 | DOI: 10.1002/pssb.201248447

  13. Information for authors

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Preface
    8. Feature Articles
    9. Original Papers
    10. Feature Articles
    11. Original Paper
    12. Feature Articles
    13. Original Papers
    14. Information for authors
    1. You have free access to this content
      Information for authors (pages 1242–1243)

      Article first published online: 4 JUN 2013 | DOI: 10.1002/pssb.201370545

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