Theoretical atomic scale design

  1. Published

    Ab initio study of long-period superstructures in close-packed A3B compounds. / Rosengaard, N. M.; Skriver, Hans Lomholt.

    In: Physical Review B Condensed Matter, Vol. 49, No. 20, 1994, p. 14666-14675.

    Publication: Research - peer-reviewJournal article – Annual report year: 1994

  2. Published

    Ab initio surface core-level shifts and surface segregation energies. / Aldén, Magnus; Skriver, Hans Lomholt; Johansson, Börje.

    In: Physical Review Letters, Vol. 71, No. 15, 1993, p. 2449-2452.

    Publication: Research - peer-reviewJournal article – Annual report year: 1993

  3. Published
  4. Published

    Ab initio work function of elemental metals. / Skriver, Hans Lomholt; Rosengaard, N. M.

    In: Physical Review B Condensed Matter, Vol. 45, No. 16, 1992, p. 9410-9412.

    Publication: Research - peer-reviewJournal article – Annual report year: 1992

  5. Published

    Absorption spectra of trapped holes in anatase TiO2. / Zawadzki, Pawel.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 117, No. 17, 2013, p. 8647-8651.

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

  6. Published
  7. Published

    Accommodation and diffusion of Cu deposited on flat and stepped Cu(111) surfaces. / Stoltze, Per; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 48, No. 8, 1993, p. 5607-5611.

    Publication: Research - peer-reviewJournal article – Annual report year: 1993

  8. Published

    Accurate treatment of nanoelectronics through improved description of van der Waals Interactions. / Kelkkanen, Kari André; Jacobsen, Karsten Wedel (Supervisor); Nørskov, Jens Kehlet (Supervisor).

    Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2011.

    Publication: ResearchPh.D. thesis – Annual report year: 2011

  9. Published
  10. Published
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