Theoretical atomic scale design

  1. Research › Journal article
  2. Published

    Conductance eigenchannels in nanocontacts. / Brandbyge, Mads; Sørensen, Mads Reinholdt; Jacobsen, Karsten Wedel.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 56, No. 23, 1997, p. 14956-14959.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

  3. Published
  4. Published

    Scattering and conductance quantization in three-dimensional metal nanocontacts. / Brandbyge, Mads; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 55, No. 4, 1997, p. 2637-2650.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

  5. Published
  6. Published

    Effect of strain on surface diffusion and nucleation. / Brune, Harald; Bromann, Karsten; Röder, Holger; Kern, Klaus; Jacobsen, Joachim; Stoltze, Per; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 52, No. 20, 1995, p. 14380-14383.

    Publication: Research - peer-reviewJournal article – Annual report year: 1995

  7. Published
  8. Published

    Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides. / Calle-Vallejo, Federico; Inoglu, Nilay G.; Su, Hai-Yan; Martínez, José I.; Man, Isabela C.; Koper, Marc T. M.; Kitchin, John R.; Rossmeisl, Jan.

    In: Chemical Science, Vol. 4, No. 3, 2013, p. 1245-1249.

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

  9. Published

    Oxygen reduction and evolution at single-metal active sites : Comparison between functionalized graphitic materials and protoporphyrins. / Calle-Vallejo, F.; Martínez, J.I.; García Lastra, Juan Maria; Abad, E.; Koper, M.T.M.

    In: Surface Science, Vol. 607, 2013, p. 47-53.

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

  10. Published

    Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces. / Calle-Vallejo, F.; Martínez, J. I.; García Lastra, Juan Maria; Rossmeisl, J.; Koper, M. T. M.

    In: Physical Review Letters, Vol. 108, No. 11, 2012, p. 116103.

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

  11. Published

    First-principles determination of the ground-state structure of Mg(BH4)(2). / Caputo, R.; Tekin, Adem; Sikora, W.; Zuttel, A.

    In: Chemical Physics Letters, Vol. 480, No. 4-6, 2009, p. 203-209.

    Publication: Research - peer-reviewJournal article – Annual report year: 2009

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