Center for Atomic-scale Materials Design

  1. 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

  2. Published
  3. Published

    Oxygen reduction on nanocrystalline ruthenia-local structure effects. / Abbott, Daniel F.; Mukerjee, Sanjeev; Petrykin, Valery; Bastl, Zdeněk; Halck, Niels Bendtsen; Rossmeisl, Jan; Krtil, Petr.

    In: RSC Advances, Vol. 5, No. 2, 2015, p. 1235-1243.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  4. Published

    Double-slit experiment with single wave-driven particles and its relation to quantum mechanics. / Andersen, Anders Peter; Madsen, Jacob; Reichelt, Christian Günther; Ahl, Sonja Rosenlund; Lautrup, Benny; Ellegaard, Clive; Levinsen, Mogens T.; Bohr, Tomas.

    In: Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 92, No. 1, 013006, 2015, p. 14.

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

  5. Published

    The dielectric genome of van der Waals heterostructures. / Andersen, Kirsten; Latini, Simone; Thygesen, Kristian Sommer.

    In: Nano Letters, Vol. 15, No. 7, 2015, p. 4616-4621.

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

  6. E-pub ahead of print

    Classical molecular dynamics and quantum abs-initio studies on lithium-intercalation in interconnected hollow spherical nano-spheres of amorphous Silicon. / Bhowmik, Arghya; Malik, R.; Prakash, S.; Sarkar, Tanmay ; Bharadwaj, Mridula Dixit ; Aich, S.; Ghosh, Sourov.

    In: Journal of Alloys and Compounds, 2015.

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

  7. Published

    Computational thermodynamics in electric current metallurgy. / Bhowmik, Arghya; Qin, R.S. .

    In: Materials Science and Technology, Vol. 31, No. 13a, 2015, p. 1560-1563.

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

  8. 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

  9. Published

    Solid solution barium–strontium chlorides with tunable ammonia desorption properties and superior storage capacity. / Bialy, Agata ; Jensen, Peter Bjerre; Blanchard, Didier; Vegge, Tejs; Quaade, Ulrich J.

    In: Journal of Solid State Chemistry, Vol. 221, 2015, p. 32–36.

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

  10. Published

    Nanoconfined LiBH4 as a Fast Lithium Ion Conductor. / Blanchard, Didier; Nale, Angeloclaudio ; Sveinbjörnsson, Dadi Þorsteinn; Eggenhuisen, Tamara M. ; Verkuijlen, Margriet H. W. ; Suwarno, Dr.; Vegge, Tejs; Kentgens, Arno P. M. ; Jongh, Petra E. de .

    In: Advanced Functional Materials, Vol. 25, No. 2, 2015, p. 184–192.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

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