Atomic scale modelling and materials

  1. 2016
  2. Published

    Elastic Properties of the Solid Electrolyte Li7La3Zr2O12 (LLZO). / Yu, Seungho; Schmidt, Robert D. ; Garcia-Mendez, Regina; Herbert, Erik; J. Dudney, Nancy; B. Wolfenstine, Jeffrey; Sakamoto, Jeff; Siegel, Donald Jason.

    In: Chemistry of Materials, Vol. 28, 2016, p. 197-206.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  3. Published

    Electronic Structure of Low-Dimensional Carbon Π-Systems. / García Lastra, Juan Maria; Boukahil, Idris; Qiao, Ruimin; Rubio, Angel; Himpsel, F. J.

    In: Journal of Physical Chemistry C, Vol. 120, No. 23, 2016, p. 12362-12368.

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

  4. Published
  5. Published

    Electroreduction of N2 to ammonia at ambient conditions on mononitrides of Zr, Nb, Cr, and V – A DFT guide for experiments. / Abghoui, Younes ; Garden, Anna L. ; Howalt, Jakob Geelmuyden; Vegge, Tejs; Skúlason, Egill.

    In: A C S Catalysis, Vol. 6, 2016, p. 635–646.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  6. Published
  7. Published

    Interface-Induced Renormalization of Electrolyte Energy Levels in Magnesium Batteries. / Kumar, Nitin; Siegel, Donald J.

    In: Journal of Physical Chemistry Letters, Vol. 7, 2016, p. 874-881.

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

  8. Published
  9. E-pub ahead of print

    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, 2016.

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

  10. 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

  11. Published
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