Center for Atomic-scale Materials Design

  1. 2014
  2. Published
  3. Published

    Dynamical image-charge effect in molecular tunnel junctions : Beyond energy level alignment. / Jin, Chengjun; Thygesen, Kristian Sommer.

    In: PHYSICAL REVIEW B, Vol. 89, No. 4, 2014, p. 041102.

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

  4. Published
  5. Published

    Insight into the Effect of Sn on CO and Formic Acid Oxidation at PtSn Catalysts. / Stevanović, S.; Tripković, D.; Tripkovic, Vladimir; Minić, D.; Gavrilović, A.; Tripković, A.; Jovanović, V. M.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 118, No. 1, 2014, p. 20278-289.

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

  6. Published

    Sharp Lines Due to Cr3+ and Mn2+ Impurities in Insulators: Going Beyond the Usual Tanabe−Sugano Approach. / García Lastra, Juan Maria; García-Fernández, P.; Barriuso, M. T.; Aramburu, J. A.; Moreno, M.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 118, No. 12, 2014, p. 2377-2384.

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

  7. Published

    Temperature effects on quantum interference in molecular junctions. / Markussen, Troels; Thygesen, Kristian Sommer.

    In: PHYSICAL REVIEW B, Vol. 89, No. 8, 2014, p. 085420.

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

  8. Published

    Thermochemistry and micro-kinetic analysis of methanol synthesis on ZnO (0001). / Medford, Andrew James; Sehested, Jens; Rossmeisl, Jan; Chorkendorff, Ib; Studt, Felix; Nørskov, Jens K.; Moses, Poul Georg.

    In: Journal of Catalysis, Vol. 309, 2014, p. 397-407.

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

  9. Published
  10. Published
  11. 2013
  12. Published
  13. Published

    Carbon nanotubes as heat dissipaters in microelectronics. / Pérez Paz, Alejandro; García-Lastra, Juan María; Markussen, Troels; Thygesen, Kristian Sommer; Rubio, Angel.

    In: The European Physical Journal B, Vol. 86, No. 5, 2013, p. 1-14.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  14. Published

    Computational analysis of gas-solid interactions in materials for energy storage and conversion. / Lysgaard, Steen; Vegge, Tejs (Main supervisor); Bligaard, Thomas (Supervisor).

    Kgs. Lyngby : Technical University of Denmark, 2013. 137 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2013

  15. Published

    Computational Design and Characterization of New Battery Materials. / Mýrdal, Jón Steinar Garðarsson; Vegge, Tejs (Main supervisor); Rossmeisl, Jan (Supervisor).

    Kgs. Lyngby : Technical University of Denmark, 2013. 144 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2013

  16. Published

    Computational Screening of Materials for Water Splitting Applications. / Castelli, Ivano Eligio; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor).

    Kgs. Lyngby : Technical University of Denmark, 2013. 192 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2013

  17. Published

    Density functional theory studies of transition metal nanoparticles in catalysis. / Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua; Chun, Hee-Joon; Clayborne, Andre; Li, Lin; Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Larsen, Ask Hjorth; Kleis, Jesper; Jacobsen, Karsten Wedel; Romero, Nichols.

    In: Abstracts of Papers of the American Chemical Society, Vol. 246, 2013, p. -.

    Publication: Research - peer-reviewConference abstract in journal – Annual report year: 2013

  18. Published

    Development of new catalysts for water electrolysis. / Hernandez-Fernandez, Patricia (Author); Paoli, Elisa Antares (Author); Frydendal, Rasmus (Author); Stephens, Ifan (Author); Rossmeisl, Jan (Author); Chorkendorff, Ib (Author).

    2013. International Symposium on Water Electrolysis and Hydrogen as part of the future Renewable Energy System, Copenhagen, Denmark, 10/05/13.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2013

  19. Published
  20. Published

    Electrochemical ammonia production on molybdenum nitride nanoclusters. / Howalt, Jakob Geelmuyden; Vegge, Tejs.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 48, 2013, p. 20957-20965.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  21. Published
  22. Published

    Energy level alignment and quantum conductance of functionalized metal-molecule junctions : Density functional theory versus GW calculations. / Jin, Chengjun; Strange, Mikkel; Markussen, Troels; Solomon, Gemma C.; Thygesen, Kristian Sommer.

    In: Journal of Chemical Physics, Vol. 139, No. 18, 2013, p. 184307.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  23. Published
  24. Published

    Generalized trends in the formation energies of perovskite oxides. / Zeng, Zhenhua; Calle-Vallejo, Federico; Mogensen, Mogens Bjerg; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 20, 2013, p. 7526-7533.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  25. Published
  26. Published

    In silico search for novel methane steam reforming catalysts. / Xu, Yue; Lausche, Adam C; Wang, Shengguang; Khan, Tuhin Suvra; Abild-Pedersen, Frank; Studt, Felix; Nørskov, Jens K; Bligaard, Thomas .

    In: New Journal of Physics, Vol. 15, No. 12, 2013, p. 125021.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  27. Published

    NOx Removal and Effect of Adsorbate-Adsorbate Interactions. / Khan, Tuhin Suvra; Rossmeisl, Jan (Main supervisor); Bligaard, Thomas (Supervisor).

    Kgs. Lyngby : Technical University of Denmark, 2013. 286 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2013

Previous 1 2 Next
Download list:
Download as PDF
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
PDF
Download as HTML
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
HTML
Download as Word
Select render style:
APAAuthorCBEHarvardMLAStandardVancouverShortLong
Word