Atomic scale modelling and materials

  1. 2016
  2. 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

  3. Published
  4. Published

    Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics. / de Oteyza, Dimas G.; García Lastra, Juan Maria; Toma, Francesca M.; Borghetti, Patrizia; Floreano, Luca; Verdini, Alberto; Cossaro, Albano; Pho, Toan V.; Wudl, Fred; Ortega, J. Enrique.

    In: Journal of Physical Chemistry Letters, Vol. 7, No. 1, 2016, p. 90-95.

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

  5. 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

  6. 2015
  7. Published

    Analysis of the Interphase on Carbon Black Formed in High Voltage Batteries. / Younesi, Reza; Christiansen, Ane Sælland; Scipioni, Roberto; Ngo, Duc-The; Simonsen, Søren Bredmose; Edström, Kristina; Hjelm, Johan; Norby, Poul.

    2015. Abstract from Nordic Battery Conference 2015, Trondheim, Norway.

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

  8. 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

  9. Published

    Functional Analysis of Battery Management Systems using Multi-Cell HIL Simulator. / Barreras, Jorge Varela; Swierczynski, Maciej Jozef; Schaltz, Erik; Andreasen, Søren Juhl; Fleischer, Christian; Sauer, Dirk Uwe; Christensen, Andreas Elkjær.

    Proceedings of the 2015 Tenth International Conference on Ecological Vehicles and Renewable Energies (ever). 2015.

    Publication: Research - peer-reviewArticle in proceedings – Annual report year: 2015

  10. Published

    Computational Analysis and Design of New Materials for Metal-Air Batteries. / Mekonnen, Yedilfana Setarge; Vegge, Tejs (Supervisor); García Lastra, Juan Maria (Supervisor); Hummelshøj, Jens Strabo.

    DTU Energy, 2015. 143 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2015

  11. 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

  12. 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

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