Atomic scale modelling and materials

  1. Published

    Nickel oxide crystalline nano flakes: synthesis, characterization and their use as anode in lithium-ion batteries. / Ahmadi, Majid; Younesi, Reza; Vegge, Tejs; Guinel, Maxime J.-F.

    In: Materials Research Express, Vol. 1, No. 2, 025501, 2014.

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

  2. Published

    Synthesis of tungsten oxide nanoparticles using a hydrothermal method at ambient pressure. / Ahmadi, Majid; Younesi, Reza; Guinel, Maxime J-F.

    In: Journal of Materials Research, Vol. 29, No. 13, 2014, p. 1424-1430.

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

  3. Published

    WO3 nano-ribbons: their phase transformation from tungstite (WO3·H2O) to tungsten oxide (WO3). / Ahmadi, Majid; Sahoo, Satyaprakash; Younesi, Reza; Gaur, Anand P. S.; Katiyar, Ram S.; Guinel, Maxime J.-F.

    In: Journal of Materials Science, Vol. 49, No. 17, 2014, p. 5899-5909.

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

  4. Published

    Vacancy ordering and superstructure formation in dry and hydrated strontium tantalate perovskites: A TEM perspective. / Ashok, Anuradha M.; Haavik, Camilla; Norby, Poul; Norby, Truls; Olsen, Arne.

    In: Micron, Vol. 62, 2014, p. 11-27.

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

  5. Published

    Elucidating the activity of stepped Pt single crystals for oxygen reduction. / Bandarenka, Aliaksandr S.; Hansen, Heine Anton; Rossmeisl, Jan; Stephens, Ifan.

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 27, 2014, p. 13625-13625.

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

  6. Published

    Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers. / Calle-Vallejo, Federico; Martinez, Jose I.; García Lastra, Juan Maria; Sautet, Philippe; Loffreda, David.

    In: Angewandte Chemie (International Edition), Vol. 53, No. 32, 2014, p. 8316-8319.

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

  7. Published

    Residual stresses in a co-sintered SOC half-cell during post-sintering cooling. / Charlas, Benoit; Chatzichristodoulou, Christodoulos; Brodersen, Karen; Kwok, Kawai; Norby, Poul; Chen, Ming; Frandsen, Henrik Lund.

    2014. Paper presented at 11th European SOFC and SOE Forum 2014, Lucerne, Switzerland.

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

  8. E-pub ahead of print
  9. 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: Journal of Physical Chemistry C, Vol. 118, No. 32, 2014, p. 18626-18630.

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

  10. Published

    Quantifying Local and Cooperative Components in the Ferroelectric Distortion of BaTiO3: Learning from the Off-Center Motion in the MnCl65– Complex Formed in KCl:Mn+. / García Lastra, Juan Maria; García-Fernández, P.; Calle-Vallejo, F.; Trueba, A.; Aramburu, J. A.; Moreno, M.

    In: Inorganic Chemistry, Vol. 53, No. 13, 2014, p. 6534–6543.

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

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