Theoretical Atomic-scale Physics

  1. 2017
  2. Published

    Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures. / Latini, Simone; Winther, Kirsten Trøstrup; Olsen, Thomas; Thygesen, Kristian Sommer.

    In: Nano Letters, Vol. 17, No. 2, 2017, p. 938-945.

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

  3. Published

    Jahn-Teller and Non-Jahn-Teller Systems Involving CuF64- Units: Role of the Internal Electric Field in Ba2ZnF6:Cu2+ and Other Insulating Systems. / Aramburu, J. A.; Garcia-Fernandez, P.; García Lastra, Juan Maria; Moreno, M.

    In: Journal of Physical Chemistry C, Vol. 121, No. 9, 2017, p. 5215-5224.

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

  4. Published

    Metal-insulator transition in disordered systems from the one-body density matrix. / Olsen, Thomas; Resta, Raffaele; Souza, Ivo.

    In: Physical Review B, Vol. 95, No. 4, 045109, 2017.

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

  5. Published

    Modeling the active sites of Co-promoted MoS2 particles by DFT. / Šaric, Manuel; Rossmeisl, Jan; Moses, Poul Georg.

    In: Physical Chemistry Chemical Physics, Vol. 19, 2017, p. 2017-2024.

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

  6. Published

    Mononuclear Clusterfullerene Single-Molecule Magnet Containing Strained Fused-Pentagons Stabilized by a Nearly Linear Metal Cyanide Cluster. / Liu, Fupin; Wang, Song; Gao, Cong Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerstroem, Rasmus; Jin, Fei ; Xie, Su Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng.

    In: Angewandte Chemie (International Edition), Vol. 129, No. 7, 2017, p. 1856-1860.

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

  7. Published

    Orientation-Dependent Oxygen Evolution on RuO2 without Lattice Exchange. / Stoerzinger, Kelsey A. ; Diaz-Morales, Oscar ; Kolb, Manuel ; Rao, Reshma R. ; Frydendal, Rasmus; Qiao, Liang ; Wang, Xiao Renshaw ; Halck, Niels Bendtsen; Rossmeisl, Jan; Hansen, Heine Anton; Vegge, Tejs; E. L. Stephens, Ifan; Koper, Marc T. M.; Shao-Horn, Yang.

    In: ACS Energy Letters, Vol. 2, No. 4, 2017, p. 876-881.

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

  8. Accepted/In press

    Phonon limited electronic transport in Pb. / Rittweger, Florian; Hinsche, Nicki Frank; Mertig, Ingrid.

    In: Journal of Physics: Condensed Matter, 2017.

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

  9. Published

    Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms. / Kristoffersen, Henrik Høgh; Neilson, Hunter L.; Buratto, Steven K. ; Metiu, Horia.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 121, No. 15, 2017, p. 8444-8451.

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

  10. Published

    Surface theorem for the Chern-Simons axion coupling. / Olsen, Thomas; Taherinejad, Maryam ; Vanderbilt, David ; Souza, Ivo.

    In: Physical Review B Condensed Matter, Vol. 95, 075137, 2017.

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

  11. 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

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