Institute of Theoretical Chemistry: Selected Publications

For some publications you can either download a gzipped PostScript file or a PDF file of the preprint version, a PDF file of the final article, or a link to the online version of the respective journal is provided. A download of the online version may require an authorization.

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Gallery of cover images and graphics

Publications in 2015

  1. Nicolas Hörmann, Jochen Rohrer, Axel Groß, and Payam Kaghazchi, Stabilization of the γ-Sn phase in tin nanoparticles and nanowires, Appl. Phys. Lett. 107,  123101 (2015).
    [ Preprint , APL online]
  2. Sung Sakong, Maryam Naderian, Kiran Mathew, Richard G. Hennig, and Axel Groß , Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method, J. Chem. Phys. 142,  234107 (2015).
    [ Preprint , JCP online]
  3. Jeff Greeley and Axel Groß, Preface - Special Issue on Reactivity concepts at interfaces: coupling theory with experiment, Surf. Sci. 640, 1 (2015).
    [ Surf. Sci. online]
  4. Katrin Forster-Tonigold and Axel Groß, A systematic DFT study of substrate reconstruction effects due to thiolate and selenolate adsorption, Special Issue of Surface Science on Reactivity Concepts at Surfaces, Surf. Sci. 640,  18-24 (2015).
    [ Preprint , Surf. Sci. online]
  5. Nicolas Hörmann, Axel Groß, and Payam Kaghazchi, Semiconductor-metal transition induced by nanoscale stabilization, PhysChemChemPhys 17, 5569-5573 (2015).
    [ Preprint  PCCP online]
  6. B. Westenfelder, J. Biskupek, J.C. Meyer, S. Kurasch, X. Lin, F. Scholz, A. Groß, and U. Kaiser, Bottom-up formation of robust gold carbide, Sci. Rep. 5, 8891 (2015).
    [Preprint, Sci. Rep. online
  7. Axel Groß and Klaus Wandelt, Preface - Special Issue on Surface Science and Electrochemistry - 20 years later, Surf. Sci. 631, 1 (2015).
    [ Surf. Sci. online]
  8. Florian Gossenberger, Tanglaw Roman, and  Axel Groß, Equilibrium coverage of halides on metal electrodes, Surf. Sci. 631, 17-22 (2015).
    [Preprint, Surf. Sci. online]
  9. Nicolas Hörmann, Markus Jäckle, Florian Gossenberger, Tanglaw Roman, Katrin Forster-Tonigold, Maryam Naderian, Sung Sakong, and Axel Groß, Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer, J. Power Sources 275, 531-538 (2015).
    [ Preprint J. Power Sources online]