Theoretical atomic scale design

  1. Published

    600 GHz resonant mode in a parallel array of Josephson tunnel junctions connected by superconducting microstrip lines. / Kaplunenko, V. K.; Larsen, Britt Hvolbæk; Mygind, Jesper; Pedersen, Niels Falsig.

    In: Journal of Applied Physics, Vol. 76, No. 5, 1994, p. 3172-3176.

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

  2. Published

    Ab initio calculations of partial molar properties in the single-site approximation. / Ruban, Andrei; Skriver, Hans Lomholt.

    In: Physical Review B Condensed Matter, Vol. 55, No. 14, 1997, p. 8801-8807.

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

  3. E-pub ahead of print
  4. Published

    Ab initio charge analysis of pure and hydrogenated perovskites. / Bork, Nicolai Christian; Bonanos, Nikolaos; Rossmeisl, Jan; Vegge, Tejs.

    In: Journal of Applied Physics, Vol. 109, No. 3, 2011, p. 033702.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  5. Published

    Ab initio Defect Energetics in LaBO3 Perovskite Solid Oxide Fuel Cell Materials. / Lee, Yueh-Lin; Morgan, Dane; Kleis, Jesper; Rossmeisl, Jan.

    In: E C S Transactions, Vol. 25, No. 2, 2009, p. 2761-2767.

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

  6. Published

    Ab initio energetics of LaBO3(001) (B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes. / Lee, Yueh-Lin; Kleis, Jesper; Rossmeisl, Jan; Morgan, Dane.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 80, No. 22, 2009, p. 224101.

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

  7. Published

    Ab initio full charge-density study of the atomic volume of α-phase Fr, Ra, Ac, Th, Pa, U, Np, and Pu. / Vitos, Levente; Kollár, J.; Skriver, Hans Lomholt.

    In: Physical Review B Condensed Matter, Vol. 55, No. 8, 1997, p. 4947-4952.

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

  8. Published
  9. Published

    Ab initio potential for solids. / Chetty, N.; Stokbro, Kurt; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.

    In: Physical Review B Condensed Matter, Vol. 46, No. 7, 1992, p. 3798-3809.

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

  10. Published

    Ab initio study of antiphase boundaries and stacking faults in L12 and DO22 compounds. / Rosengaard, N. M.; Skriver, Hans Lomholt.

    In: Physical Review B Condensed Matter, Vol. 50, No. 7, 1994, p. 4848-4858.

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

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