Center for Atomic-scale Materials Design

  1. Research › Journal article
  2. Published

    Surface adsorption in strontium chloride ammines. / Ammitzbøll, Andreas L.; Lysgaard, Steen; Klukowska, Agata; Vegge, Tejs; Quaade, Ulrich J.

    In: Journal of Chemical Physics, Vol. 138, No. 16, 2013, p. 164701.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  3. Published

    Elucidating the activity of stepped Pt single crystals for oxygen reduction. / Bandarenka, Aliaksandr S.; Hansen, Heine Anton; Rossmeisl, Jan; Stephens, Ifan.

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 27, 2014, p. 13625-13625.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  4. Published

    Calculated Pourbaix Diagrams of Cubic Perovskites for Water Splitting: Stability Against Corrosion. / Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.

    In: Topics in Catalysis, Vol. 57, No. 1-4, 2014, p. 265-272.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  5. Published
  6. Published
  7. Published
  8. Published

    Optimizing the Structure of Tetracyanoplatinate (II): A Comparison of Relativistic Density Functional Theory Methods. / Dohn, Asmus Ougaard; Møller, Klaus Braagaard; Sauer, Stephan P. A. .

    In: Current Inorganic Chemistry, Vol. 3, 2013, p. 213-219.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  9. Published

    Sharp Lines Due to Cr3+ and Mn2+ Impurities in Insulators: Going Beyond the Usual Tanabe−Sugano Approach. / García Lastra, Juan Maria; García-Fernández, P.; Barriuso, M. T.; Aramburu, J. A.; Moreno, M.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 118, No. 12, 2014, p. 2377-2384.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  10. Published

    Search Directions for Direct H2O2 Synthesis Catalysts Starting from Au-12 Nanoclusters. / Grabow, Lars; Larsen, Britt Hvolbæk; Falsig, Hanne; Nørskov, Jens Kehlet.

    In: Topics in Catalysis, Vol. 55, No. 5-6, 2012, p. 336-344.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  11. Published
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