Theoretical Atomic-scale Physics

  1. 2017
  2. Published

    Temperature dependent photoreflectance study of Cu2SnS3 thin films produced by pulsed laser deposition. / Raadik, T.; Grossberg, M.; Krustok, J.; Kauk-Kuusik, M.; Crovetto, Andrea; Ettlinger, Rebecca Bolt; Hansen, O.; Schou, Jørgen.

    In: Applied Physics Letters, Vol. 110, No. 26, 261105, 2017.

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

  3. Published

    The Atomic Simulation Environment - A Python library for working with atoms. / Larsen, Ask Hjorth; Mortensen, Jens Jørgen; Blomqvist, Jakob; Castelli, Ivano Eligio; Christensen, Rune; Dulak, Marcin; Friis, Jesper; Groves, Michael; Hammer, Bjørk; Hargus, Cory; Hermes, Eric; C. Jennings, Paul; Jensen, Peter Bjerre; Kermode, James; Kitchin, John; Kolsbjerg, Esben; Kubal, Joseph ; Kaasbjerg, Kristen; Lysgaard, Steen; Maronsson, Jon Bergmann; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian Sommer; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten Wedel.

    In: Journal of Physics: Condensed Matter, Vol. 29, 273002, 2017.

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

  4. Published

    Two-Dimensional MXenes as Catalysts for Electrochemical Hydrogen Evolution: A Computational Screening Study. / Pandey, Mohnish; Thygesen, Kristian Sommer.

    In: Journal of Physical Chemistry C, Vol. 121, No. 25, 2017, p. 13593-13598.

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

  5. 2016
  6. 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

  7. 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

  8. 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

  9. 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

  10. Published
  11. Published

    Catalyst design for clean and efficient fuels. / Šaric, Manuel; Jacobsen, Karsten Wedel (Main supervisor); Moses, Poul Georg (Supervisor); Rossmeisl, Jan (Supervisor).

    Department of Physics, Technical University of Denmark, 2016. 156 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2017

  12. 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

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