Theoretical Atomic-scale Physics

  1. 2016
  2. Accepted/In press

    Molecular dynamics simulations of ternary PtxPdyAuz fuel cell nanocatalyst growth. / Brault, P.; Coutanceau, C.; C. Jennings, Paul; Vegge, Tejs; Berndt, J.; Caillard, A.; Baranton, S.; Lankiang, S.

    In: International Journal of Hydrogen Energy, 2016.

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

  3. 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

  4. Published

    Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103. / Callini, Elsa ; Aguey-Zinsou, Kondo-Francois; Ahuja, Rajeev; Ares, José Ramon Ares; Bals, Sara ; Biliskov, Nikola ; Chakraborty, Sudip ; Charalambopoulou, Georgia ; Chaudhary, Anna-Lisa ; Cuevas, Fermin ; Dam, Bernard ; Jongh, Petra E. de ; Dornheim, Martin; Filinchuk, Yaroslav; Novakovic, Jasmina Grbovic ; Hirscher, Michael ; Jensen, Torben R.; Jensen, Peter Bjerre; Novakovic, Nikola ; Lai, Qiwen ; Leardini, Fabrice ; Gattia, Daniele Mirabile; Pasquini, Luca ; Steriotis, Theodore ; Turner, Stuart ; Vegge, Tejs; Züttel, Andreas; Montone, Amelia .

    In: International Journal of Hydrogen Energy, Vol. 41, No. 32, 2016, p. 14404-14428.

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

  5. Published

    Oxygen Reduction Reaction on Pt Overlayers Deposited onto a Gold Film: Ligand, Strain, and Ensemble Effect. / Deng, Yu-Jia; Tripkovic, Vladimir; Rossmeisl, Jan; Arenz, Matthias.

    In: A C S Catalysis, Vol. 6, No. 2, 2016, p. 671-676.

    Publication: Research - peer-reviewJournal article – 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

    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

  8. Published
  9. 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

  10. Published
  11. Published

    Water at Interfaces. / Björneholm, Olle; Hansen, Martin Hangaard; Hodgson, Andrew; Liu, Li-Min; Limmer, David T.; Michaelides, Angelos; Pedevilla, Philipp; Rossmeisl, Jan; Shen, Huaze; Tocci, Gabriele; Tyrode, Eric; Walz, Marie-Madeleine; Werner, Josephina; Bluhm, Hendrik.

    In: Chemical Reviews, Vol. 116, No. 13, 2016, p. 7698-7726.

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

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