Theoretical Atomic-scale Physics

  1. 2016
  2. Published
  3. Published

    Key role of internal electric fields in the properties of ionic materials containing transition‐metal complexes. / Aramburu, J.A.; García Lastra, Juan Maria; Garcia-Fernandez, P.; 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

  4. Published

    Light-matter interaction in low-dimensional materials. A theoretical study. / Gjerding, Morten Niklas; Thygesen, Kristian Sommer (Main supervisor).

    Department of Physics, Technical University of Denmark, 2016. 126 p.

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

  5. Published

    Nanoparticle Interfaces Studied Using Environmental TEM and Atomic Scale Modelling. / Liu, Pei; Madsen, Jacob; Schiøtz, Jakob; Wagner, Jakob Birkedal; Hansen, Thomas Willum.

    2016. Poster session presented at 16th International Congress on Catalysis, Beijing, China.

    Publication: Research - peer-reviewPoster – Annual report year: 2016

  6. Published

    Phase Transition of MoS2 Bilayer Structures. / Pandey, Mohnish; Bothra, Pallavi; Pati, Swapan K.

    In: Journal of Physical Chemistry C, Vol. 120, No. 7, 2016, p. 3776-3780.

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

  7. Published

    pH in Grand Canonical Statistics of an Electrochemical Interface. / Hansen, Martin Hangaard; Rossmeisl, Jan.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 120, No. 51, 2016, p. 29135-29143.

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

  8. Published

    Relation between Hydrogen Evolution and Hydrodesulfurization Catalysis. / Šaric, Manuel; Moses, Poul Georg; Rossmeisl, Jan.

    In: ChemCatChem, Vol. 8, No. 21, 2016, p. 3334–3337.

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

  9. Published

    Stark shift and electric-field-induced dissociation of excitons in monolayer MoS2 and hBN/MoS2 heterostructures. / Haastrup, Sten; Latini, Simone; Bolotin, Kirill; Thygesen, Kristian Sommer.

    In: Physical Review B Condensed Matter, Vol. 94, No. 4, 041401, 2016.

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

  10. Published

    Toward Molecular Magnets of Organic Origin via Anion-π Interaction Involving m-Aminyl Diradical: A Theoretical Study. / Bhattacharya, Debojit; Shil, Suranjan; Misra, Anirban; Bytautas, Laimutis; Klein, Douglas J.

    In: The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 120, No. 45, 2016, p. 9117–9130.

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

  11. Published
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