Atomic scale modelling and materials

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

    Accelerated DFT-Based Design of Materials for Ammonia Storage. / Jensen, Peter Bjerre; Bialy, Agata ; Blanchard, Didier; Lysgaard, Steen; Reumert, Alexander K. ; Quaade, Ulrich J.; Vegge, Tejs.

    In: Chemistry of Materials, Vol. 27, No. 13, 2015, p. 4552–4561.

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

  4. Published
  5. 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, No. 7, 2015, p. 4039−4047.

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

  6. 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

  7. 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

  8. E-pub ahead of print

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

    In: Materials Science and Technology, 2015.

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

  9. Published
  10. 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

  11. Published

    Depth profiling the solid electrolyte interphase on lithium titanate (Li4Ti5O12) using synchrotron-based photoelectron spectroscopy. / Nordh, Tim; Younesi, Reza; Brandell, Daniel; Edström, Kristina.

    In: Journal of Power Sources, Vol. 294, 2015, p. 173-179.

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

  12. 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

  13. Published
  14. 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

  15. 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

  16. Published

    Impedance-Based Battery Management for Metal-O2 Systems. / Christensen, Andreas Elkjær; Højberg, Jonathan; Norby, Poul; Vegge, Tejs.

    In: Electrochemical Society. Journal, Vol. 162, No. 10, 2015, p. A2075-A2079.

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

  17. 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

  18. Published

    In Situ High Resolution Synchrotron X-Ray Powder Diffraction Studies of Lithium Batteries. / Amri, Mahrez; Fitch, Andy; Norby, Poul.

    In: Electrochemical Society. Meeting Abstracts (Online), Vol. MA2015-01, No. 2, 2015, p. 646.

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

  19. Published
  20. Published

    In Situ X‐Ray Diffraction Studies on Structural Changes of a P2 Layered Material during Electrochemical Desodiation/Sodiation. / Jung, Young Hwa; Christiansen, Ane Sælland; Johnsen, Rune E.; Norby, Poul; Kim, Do Kyung.

    In: Advanced Functional Materials, Vol. 25, No. 21, 2015, p. 3227-3237.

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

  21. Published
  22. Published
  23. Published

    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, No. 8, 2015, p. 1905-1922.

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

  24. 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

  25. Published
  26. 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

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