Atomic scale modelling and materials

  1. 2015
  2. E-pub ahead of print
  3. Published
  4. Published

    An Electrochemical Impedance Spectroscopy Investigation of the Overpotentials in Li−O2 Batteries. / Højberg, Jonathan; McCloskey, Bryan D. ; Hjelm, Johan; Vegge, Tejs; Johansen, Keld; Norby, Poul; Luntz, Alan C. .

    In: A C S Applied Materials and Interfaces, Vol. 7, 2015, p. 4039−4047.

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

  5. Published

    Capillary based Li-air batteries for in situ synchrotron X-ray powder diffraction studies. / Storm, Mie Møller; Johnsen, Rune E.; Younesi, Reza; Norby, Poul.

    In: Journal of Materials Chemistry A, Vol. 3, No. 6, 2015, p. 3113-3119.

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

  6. Published

    Comparison Study of YBa2Cu3O7-x Films Deposited by Using Various Carboxylate Solutions. / Yue, Zhao; Torres, P.; Norby, Poul; Wulff, Anders Christian; Grivel, Jean-Claude.

    In: IEEE Transactions on Applied Superconductivity, Vol. 25, No. 3, 2015, p. 6600204.

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

  7. Published
  8. Published

    Degradation Studies on LiFePO4 cathode. / Scipioni, Roberto; Jørgensen, Peter Stanley; Hjelm, Johan; Norby, Poul; Rasmussen, Claus Nygaard; Jensen, Søren Højgaard.

    In: E C S Transactions, Vol. 64, No. 22, 2015, p. 97-106.

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

  9. Published

    Design of two-photon molecular tandem architectures for solar cells by ab initio theory. / Ørnsø, Kristian Baruël; García Lastra, Juan Maria; De La Torre, Gema; Rubio, Angel; Thygesen, Kristian Sommer.

    In: Chemical Science, Vol. 6, 2015, p. 3018-3025.

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

  10. Published
  11. Published
  12. 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

  13. Published
  14. Published

    Positron Annihilation Spectroscopy on LiBH4 and LiBH4:LiI superionic lithium conductors. / Eldrup, Morten Mostgaard; Blanchard, Didier; Sveinbjörnsson, Dadi Þorsteinn.

    2015. Abstract from 11th International Workshop on Positron and Positronium Chemistry, Goa, India.

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

  15. Published

    Reduced graphene oxide for Li–air batteries: The effect of oxidation time and reduction conditions for graphene oxide. / Storm, Mie Møller; Overgaard, Marc; Younesi, Reza; Reeler, Nini Elisabeth Abildgaard; Vosch, Tom; Nielsen, Ulla Gro; Edström, Kristina; Norby, Poul.

    In: Carbon, Vol. 85, 2015, p. 233-244.

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

  16. Published

    Reduction of a Ni/Spinel Catalyst for Methane Reforming. / Kehres, Jan; Andreasen, Jens Wenzel; Fløystad, Jostein Bø; Liu, Haihua; Molenbroek, Alfons; Jakobsen, Jon Geest; Chorkendorff, Ib; Nielsen, Jane Hvolbæk; Høydalsvik, Kristin; Breiby, Dag Werner; Vegge, Tejs.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 119, No. 3, 2015, p. 1424–1432.

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

  17. Published

    Size of oxide vacancies in fluorite and perovskite structured oxides. / Chatzichristodoulou, Christodoulos; Norby, Poul; Hendriksen, Peter Vang; Mogensen, Mogens Bjerg.

    In: Journal of Electroceramics, Vol. 34, No. 1, 2015, p. 100-107.

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

  18. 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

  19. 2014
  20. Published

    5bv.3.21 PV led engine : PV led engine characterization lab for standalone light to light systems. / Thorsteinsson, Sune; Poulsen, Peter Behrensdorff; Dam-Hansen, Carsten; Lindén, Johannes; Hansen, Søren Stentoft; Mira Albert, Maria del Carmen; Knott, Arnold; Norby, Poul.

    2014. Poster session presented at 29th of the European Photovoltaic Energy Conference and Exhibition , Amsterdam, Netherlands.

    Publication: Research - peer-reviewPoster – Annual report year: 2014

  21. Published

    A New Look at the Stability of Dimethyl Sulfoxide and Acetonitrile in Li-O2 Batteries. / Younesi, Reza; Norby, Poul; Vegge, Tejs.

    In: ECS Electrochemistry Letters, Vol. 3, 2014, p. A15-A18.

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

  22. Published

    Asymmetric Response toward Molecular Fluorination in Binary Copper–Phthalocyanine/Pentacene Assemblies. / de Oteyza, D. G.; García Lastra, Juan Maria; Goiri, E.; El-Sayed, A.; Wakayama, Y.; Ortega, J.E.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 118, No. 32, 2014, p. 18626-18630.

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

  23. Published

    Batteries: an important piece in the puzzle of renewable energies for a better world. / Younesi, Reza.

    In: Frontiers in Energy Research, Vol. 2, 2014.

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

  24. Published
  25. Published

    Computational Design of New Materials for Ammonia Storage. / Jensen, Peter Bjerre; Vegge, Tejs (Supervisor); Quaade, Ulrich.

    Department of Energy Conversion and Storage, Technical University of Denmark, 2014. 137 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2014

  26. Published

    Computational Search for Improved Ammonia Storage Materials. / Jensen, Peter Bjerre; Lysgaard, Steen; Vegge, Tejs; Quaade, Ulrich.

    2014. Abstract from CIMTEC 2014, Montecatini Terme, Italy.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2014

  27. Published

    Crystal fields of porphyrins and phthalocyanines from polarization-dependent 2p-to-3d multiplets. / Johnson, Phillip S.; García Lastra, Juan Maria; Kennedy, Colton K.; Jersett, Nathan J.; Boukahil, Idris; Himpsel, F. J.; Cook, Peter L.

    In: Journal of Chemical Physics, Vol. 140, No. 11, 114706, 2014.

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

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