Center for Atomic-scale Materials Design

  1. 2015
  2. Published

    Fundamental mechanisms in Li-air battery electrochemistry. / Højberg, Jonathan; Vegge, Tejs (Supervisor); Norby, Poul (Supervisor); Johansen, Keld (Supervisor).

    DTU Energy, 2015. 199 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2015

  3. Published
  4. Published
  5. Published

    Improved Accuracy of Density Functional Theory Calculations for CO2 Reduction and Metal-Air Batteries. / Christensen, Rune; Hansen, Heine Anton; Vegge, Tejs.

    In: Electrochemical Society. Meeting Abstracts (Online), Vol. MA2015-01, No. 31, 1781, 2015.

    Publication: Research - peer-reviewConference abstract in journal – Annual report year: 2015

  6. Published

    Identifying Activity Descriptors for CO2 Electro-Reduction to Methanol on Rutile (110) Surfaces. / Bhowmik, Arghya; Hansen, Heine Anton; Vegge, Tejs.

    In: Electrochemical Society. Meeting Abstracts (Online), Vol. MA2015-01, No. 32, 1859, 2015.

    Publication: Research - peer-reviewConference abstract in journal – Annual report year: 2015

  7. E-pub ahead of print

    Lithium salts for advanced lithium batteries: Li–metal, Li–O2, and Li–S. / Younesi, Reza; Veith, Gabriel M. ; Johansson, Patrik ; Edström, Kristina; Vegge, Tejs.

    In: Energy & Environmental Science, 2015.

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

  8. Published

    A Linear Response DFT+U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides. / Xu, Zhongnan; Rossmeisl, Jan; Kitchin, John R.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 119, No. 9, 2015, p. 4827-4833.

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

  9. Published
  10. Published

    Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy)(2)](2+). / Vanko, Gyoergy; Bordage, Amelie; Papai, Matyas; Haldrup, Kristoffer; Gatzel, Pieter; March, Anne Marie; Doumy, Gilles; Britz, Alexander; Galler, Andreas; Assefa, Tadesse; Cabaret, Delphine; Juhin, Amelie; Brandt van Driel, Tim; Kjær, Kasper Skov; Dohn, Asmus Ougaard; Møller, Klaus Braagaard; Lemke, Henrik Till; Gallo, Erik; Rovezzi, Mauro; Nemeth, Zoltan; Rozsalyi, Emese; Rozgonyi, Tams; Uhlig, Jens; Sundstrom, Villy; Nielsen, Martin Meedom; Young, Linda; Southworth, Stephen H.; Bressler, Christian; Gawelda, Wojciech.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 119, No. 11, 2015, p. 5888-5902.

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

  11. Published
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