Atomic scale modelling and materials

  1. 2016
  2. 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

  3. 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

  4. Published

    Stability of MOF-5 in a hydrogen gas environment containing fueling station impurities. / Ming, Yang; Purewal, Justin ; Yang, Jun; Xu, Chunchuan; Veensta, Mike ; Gaab, Manuela; Müller, Ulrich ; Siegel, Donald Jason.

    In: International Journal of Hydrogen Energy, Vol. 41, No. 22, 2016, p. 9374–9382.

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

  5. Published

    Theoretical Insight into the Trends that Guide the Electrochemical Reduction of Carbon Dioxide to Formic Acid. / Yoo, J.S.; Christensen, Rune; Vegge, Tejs; Nørskov, J.K.; Studt, F.

    In: ChemSusChem (Print), Vol. 9, 2016, p. 358 – 363.

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

  6. Published

    Theoretical Limiting Potentials in Mg/O2 Batteries. / Smith, Jeffrey G.; Naruse, Junichi; Hiramatsu, Hidehiko; Siegel, Donald Jason.

    In: Chemistry of Materials, Vol. 28, No. 5, 2016, p. 1390-1401.

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

  7. Published
  8. 2015
  9. Published

    Accelerated DFT-Based Design of Materials for Ammonia Storage. / Jensen, Peter Bjerre; Bialy, Agata ; Blanchard, Didier; Lysgaard, Steen; Reumert, Alexander K. ; Quaade, Ulrich J.; Vegge, Tejs.

    In: Chemistry of Materials, Vol. 27, No. 13, 2015, p. 4552–4561.

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

  10. Published
  11. Published
  12. Published

    Analysis of the Interphase on Carbon Black Formed in High Voltage Batteries. / Younesi, Reza; Christiansen, Ane Sælland; Scipioni, Roberto; Ngo, Duc-The; Simonsen, Søren Bredmose; Edström, Kristina; Hjelm, Johan; Norby, Poul.

    2015. Abstract from Nordic Battery Conference 2015, Trondheim, Norway.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2015

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