Theoretical Atomic-scale Physics

  1. 2017
  2. Published

    How covalence breaks adsorption-energy scaling relations and solvation restores them. / Vallejo, Federico Calle; Krabbe, Alexander; García Lastra, Juan Maria.

    In: Chemical Science, Vol. 8, No. 1, 2017, p. 124-130.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  3. 2016
  4. Published

    2D vs. 1D Structures at Stepped Si Surfaces and in Organic Molecules. / Himpsel, Franz (Invited author); García Lastra, Juan Maria (Invited author); Rubio, Á. (Invited author); Boukahil, Idris (Invited author); Qiao, R. (Invited author); Erwin, S.C. (Invited author); Barke, I. (Invited author).

    2016. Abstract from Pacific Rim Symposium on Surfaces, Coatings and Interfaces, Kohala Coast, HI, United States.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2016

  5. E-pub ahead of print
  6. Published

    An Electrochemical Impedance Study of the Capacity Limitations in Na–O2 Cells. / Knudsen, Kristian Bastholm; Nichols, Jessica E. ; Vegge, Tejs; Luntz, Alan C.; McCloskey, Bryan D. ; Hjelm, Johan.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 120, No. 20, 2016, p. 10799–10805.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  7. Published

    Atomic scale analysis of sterical effects in the adsorption of 4,6-dimethyldibenzothiophene on a CoMoS hydrotreating catalyst. / Grønborg, Signe S.; Šaric, Manuel; Moses, Poul Georg; Rossmeisl, Jan; Lauritsen, Jeppe V.

    In: Journal of Catalysis, Vol. 344, 2016, p. 121-128.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  8. Published

    Atomic-scale Modelling of Electro-catalytic Surfaces and Dynamic Electrochemical Interfaces. / Hansen, Martin Hangaard; Thygesen, Kristian Sommer (Main supervisor); Rossmeisl, Jan (Supervisor).

    Department of Physics, Technical University of Denmark, 2016. 287 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2016

  9. Published
  10. Published

    CO Oxidation on the Au15Cu15 Cluster and the Role of Vacancies in the MgO(100) Support. / Ma, Li ; Melander, Marko; Weckman, Timo ; Laasonen, Kari ; Akola, Jaakko .

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 120, 2016, p. 26747−26758.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  11. Published
  12. Published

    Designing in-plane heterostructures of quantum spin Hall insulators from first principles: 1T'-MoS2 with adsorbates. / Olsen, Thomas.

    In: Physical Review B, Vol. 94, No. 23, 235106, 2016.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

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