Atomic scale modelling and materials

  1. 2016
  2. Published
  3. Published

    Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces. / Bhowmik, Arghya; Vegge, Tejs; Hansen, Heine Anton.

    In: ChemSusChem, Vol. 9, No. 22, 2016, p. 3230–3243.

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

  4. 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

  5. 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

  6. Published
  7. 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

  8. Published
  9. Published

    Functional Independent Scaling Relation for ORR/OER Catalysts. / Christensen, Rune; Hansen, Heine Anton; Dickens, Colin F.; Nørskov, Jens K.; Vegge, Tejs.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 120, No. 43, 2016, p. 24910-24916.

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

  10. Published
  11. Published
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