Theoretical atomic scale design

  1. 2012
  2. Published
  3. Published
  4. Published
  5. Published

    Electrochemical Hydrogen Evolution : Sabatier's Principle and the Volcano Plot. / Laursen, A.B.; Varela Gasque, Ana Sofia; Dionigi, F.; Fanchiu, H.; Miller, C.; Trinhammer, O.L.; Rossmeisl, J.; Dahl, S.

    In: Journal of Chemical Education, Vol. 89, No. 12, 2012, p. 1595-1599.

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

  6. Published
  7. Published

    First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes. / Nikolic, Branislav K.; Saha, Kamal K.; Markussen, Troels; Thygesen, Kristian S.

    In: Journal of Computational Electronics, Vol. 11, No. 1, 2012, p. 78-92.

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

  8. Published

    Graphene antidot lattice waveguides. / Pedersen, Jesper Goor; Gunst, Tue; Markussen, Troels; Pedersen, Thomas Garm.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 86, No. 24, 2012.

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

  9. Published

    Guest–Host Interactions Investigated by Time-Resolved X-ray Spectroscopies and Scattering at MHz Rates : Solvation Dynamics and Photoinduced Spin Transition in Aqueous Fe(bipy)32+. / Haldrup, Martin Kristoffer; Vanko, G.; Gawelda, W.; Galler, A.; Doumy, G.; March, A.M.; Kanter, E.P.; Bordage, A.; Dohn, Asmus Ougaard; Brandt van Driel, Tim; Kjær, K. S.; Lemke, H.T.; Canton, S.E.; Uhlig, J.; Sundstrom, V.; Young, L.; Southworth, S.H.; Nielsen, Martin Meedom; Bressler, C.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 116, No. 40, 2012, p. 9878-9887.

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

  10. Published

    Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis. / Su, Hai-Yan; Gorlin, Yelena; Man, Isabela Costinela; Vallejo, Federico Calle; Nørskov, Jens K.; Jaramillo, Thomas F.; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 40, 2012, p. 14010-14022.

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

  11. Published
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