Theoretical Atomic-scale Physics

  1. 2017
  2. 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

  3. 2016
  4. 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

  5. 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

  6. Published
  7. 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

  8. 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

  9. Published
  10. Published

    Evidence of a Jahn‐Teller impurity in a cubic lattice displaying a compressed geometry. / Garcia-Fernandez, P.; Aramburu, J.A.; García Lastra, Juan Maria; Moreno, M.

    2016. Abstract from International Conference on Defects in Insulating Materials (ICDIM 2016), Lyon, France.

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

  11. Published
  12. Published
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