Theoretical atomic scale design

  1. 2013
  2. Published

    Valence photoelectron spectra of alkali bromides calculated within the propagator theory. / Karpenko, Alexander; Iablonskyi, Denys; Aksela, Helena.

    In: Journal of Chemical Physics, Vol. 138, No. 16, 2013, p. 164315.

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

  3. Published
  4. 2012
  5. Published
  6. Published

    A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction. / Skulason, Egill; Bligaard, Thomas; Gudmundsdottir, Sigrıdur; Studt, Felix; Rossmeisl, Jan; Abild-Pedersen, Frank; Vegge, Tejs; Jonsson, Hannes; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 3, 2012, p. 1235-1245.

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

  7. Published

    Balance of Nanostructure and Bimetallic Interactions in Pt Model Fuel Cell Catalysts : In Situ XAS and DFT Study. / Friebel, Daniel; Viswanathan, Venkatasubramanian; Miller, Daniel J.; Anniyev, Toyli; Ogasawara, Hirohito; Larsen, Ask H.; O’Grady, Christopher P.; Nørskov, Jens K.; Nilsson, Anders.

    In: American Chemical Society. Journal, Vol. 134, No. 23, 2012, p. 9664-9671.

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

  8. Published

    Bifunctional anode catalysts for direct methanol fuel cells. / Rossmeisl, Jan; Ferrin, Peter; Tritsaris, Georgios; Nilekar, Anand Udaykumar; Koh, Shirlaine; Bae, Sang Eun; Brankovic, Stanko R.; Strasser, Peter; Mavrikakis, Manos.

    In: Energy & Environmental Science, Vol. 5, No. 8, 2012, p. 8335-8342.

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

  9. Published

    Carbon sp chains in graphene nanoholes. / Castelli, Ivano Eligio; Ferri, Nicola; Onida, Giovanni; Manini, Nicola.

    In: Journal of Physics: Condensed Matter, Vol. 24, No. 10, 2012, p. 104019.

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

  10. Published

    Computational Materials Repository. / Landis, David.

    Technical University of Denmark, Center for Atomic-Scale Materials Physics, 2012. 228 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2012

  11. Published
  12. Published

    Construction of New Electronic Density Functionals with Error Estimation Through Fitting. / Petzold, V.; Bligaard, T.; Jacobsen, K. W.

    In: Topics in Catalysis, Vol. 55, No. 5-6, 2012, p. 402-417.

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

Previous 12 3 4 5 6 7 8 9 ...51 Next
Download list:
Download as PDF
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
PDF
Download as HTML
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
HTML
Download as Word
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
Word