Atomic scale modelling and materials

  1. 2006
  2. Published

    Dehydrogenation kinetics of pure and nickel-doped magnesium hydride investigated by in situ time-resolved powder X-ray diffraction. / Jensen, T.R.; Andreasen, A.; Vegge, Tejs; Andreasen, Jens Wenzel; Ståhl, Kenny; Pedersen, Allan Schrøder; Nielsen, Martin Meedom; Molenbroek, A.M.; Besenbacher, F.

    In: International Journal of Hydrogen Energy, Vol. 31, No. 14, 11.2006, p. 2052-2062.

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  3. 2007
  4. Published

    Indirect, Reversible High-Density Hydrogen Storage in Compact Metal Ammine Salts. / Hummelshøj, J.; Sørensen, Rasmus Zink; Klerke, Asbjørn; Reves, J.B.; Vegge, Tejs; Nørskov, Jens Kehlet; Christensen, Claus H.

    2007. Poster session presented at International symposium on materials issues in a hydrogen economy, Richmond, Virginia, United States.

    Publication: Research - peer-reviewPoster – Annual report year: 2007

  5. 2011
  6. Published

    Reaktive kraftfelter : en genvej til realistiske simuleringer af kemiske reaktioner?. / Jensen, Peter Bjerre; Fristrup, Peter.

    In: Dansk Kemi, Vol. 92, No. 12, 2011, p. 27-29.

    Publication: CommunicationJournal article – Annual report year: 2012

  7. 2012
  8. Published

    A method for finding the ridge between saddle points applied to rare event rate estimates. / Maronsson, Jon Bergmann; Jónsson, Hannes; Vegge, Tejs.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 8, 2012, p. 2884-2891.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  9. Published

    Cavity nucleation and growth during helium implantation and neutron irradiation of Fe and steel. / Eldrup, Morten Mostgaard; Singh, Bachu Narain.

    2012. Poster session presented at 16th International Conference on Positron Annihilation (ICPA-16), Bristol, United Kingdom.

    Publication: Research - peer-reviewPoster – Annual report year: 2012

  10. Published

    Computational Screening of Mixed Metal Halide Ammines. / Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich; Vegge, Tejs.

    2012. Abstract from 1st European Early Stage Researchers’ Conference on Hydrogen Storage, Belgrade, Serbia.

    Publication: Research - peer-reviewConference abstract for conference – Annual report year: 2012

  11. Published
  12. Published

    Dynamical Properties of a Ru/MgAl2O4 Catalyst during Reduction and Dry Methane Reforming. / Kehres, Jan; Jakobsen, Jon Geest ; Andreasen, Jens Wenzel; Wagner, Jakob Birkedal; Liu, Haihua; Molenbroek, Alfons ; Sehested, Jens; Chorkendorff, Ib; Vegge, Tejs.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 116, 2012, p. 21407−21415.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  13. Published

    Free volume dilatation in polymers by ortho-positronium. / Winberg, P.; Eldrup, Morten Mostgaard; Maurer, F.H.J.

    In: Journal of Chemical Physics, Vol. 136, 2012, p. 244902.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  14. Published

    Genetic Algorithms for Improved Stabilty of Nanoparticle Catalysts. / Lysgaard, Steen; Bliggard, Thomas ; Vegge, Tejs.

    2012. Poster session presented at Symposium on The Future of Catalysis, Stanford, United States.

    Publication: Research - peer-reviewPoster – Annual report year: 2012

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