Theoretical atomic scale design

  1. 2013
  2. Published

    Cu2+ in Layered Compounds : Origin of the Compressed Geometry in the Model System K2ZnF4:Cu2+. / Aramburu, J. A.; García Lastra, Juan Maria; García-Fernández, P.; Barriuso, M. T.; Moreno, M.

    In: Inorganic Chemistry, Vol. 52, No. 12, 2013, p. 6923–6933.

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

  3. Published

    Plasmons in metallic monolayer and bilayer transition metal dichalcogenides. / Andersen, Kirsten; Thygesen, Kristian S.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 88, No. 15, 2013, p. 155128.

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

  4. Published

    Visualizing hybridized quantum plasmons in coupled nanowires : From classical to tunneling regime. / Andersen, Kirsten; Jensen, Kristian Lund; Mortensen, N. Asger; Thygesen, Kristian Sommer.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 87, No. 23, 2013, p. 235433.

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

  5. 2012
  6. Published

    Thermoelectric properties of disordered graphene antidot devices. / Gunst, Tue; Lu, Jing Tao; Markussen, Troels; Jauho, Antti-Pekka; Brandbyge, Mads.

    Proceedings of the 15th International Workshop on Computational Electronics. 2012.

    Publication: Research - peer-reviewArticle in proceedings – Annual report year: 2012

  7. 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

  8. Published

    Oxidative trends of TiO2—hole trapping at anatase and rutile surfaces. / Zawadzki, Pawel; Laursen, Anders B.; Jacobsen, Karsten Wedel; Dahl, Søren; Rossmeisl, Jan.

    In: Energy & Environmental Science, Vol. 5, No. 12, 2012, p. 9866-9869.

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

  9. Published
  10. Published
  11. Published
  12. Published

    Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111). / Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan; Jaramillo, Thomas Francisco; Pitsch, Heinz; Nørskov, Jens K.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 116, No. 7, 2012, p. 4698-4704.

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

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