Karsten Wedel Jacobsen

  1. 2015
  2. Published
  3. Published

    Calculated optical absorption of different perovskite phases. / Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.

    In: Journal of Materials Chemistry A, Vol. 3, No. 23, 2015, p. 12343-12349.

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

  4. Published
  5. Published
  6. Published
  7. Published

    Two-dimensional metal dichalcogenides and oxides for hydrogen evolution : A computational screening approach. / Pandey, Mohnish; Vojvodic, Aleksandra; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.

    In: Journal of Physical Chemistry Letters, Vol. 6, No. 9, 2015, p. 1527-1585.

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

  8. Published
  9. 2014
  10. Published
  11. Published

    Assessing the reliability of calculated catalytic ammonia synthesis rates. / Medford, Andrew James; Wellendorff, Jess; Vojvodic, Aleksandra; Studt, Felix; Abild-Pedersen, Frank; Jacobsen, Karsten Wedel; Bligaard, Thomas ; Nørskov, Jens K.

    In: Science, Vol. 345, No. 6193, 2014, p. 197-200.

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

  12. Published

    Bandgap calculations and trends of organometal halide perovskites. / Castelli, Ivano Eligio; García Lastra, Juan Maria; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.

    In: A P L Materials, Vol. 2, No. 8, 2014, p. 081514-1 - 081514-7.

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

  13. Published

    Calculated Pourbaix Diagrams of Cubic Perovskites for Water Splitting: Stability Against Corrosion. / Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.

    In: Topics in Catalysis, Vol. 57, No. 1-4, 2014, p. 265-272.

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

  14. Published
  15. Published

    Development and testing of new exchange correlation functionals. / Lundgård, Keld Troen; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor); Bligaard, Thomas (Supervisor).

    Department of Physics, Technical University of Denmark, 2014. 161 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2014

  16. Published
  17. Published
  18. Published

    mBEEF : An accurate semi-local Bayesian error estimation density functional. / Wellendorff, Jess; Lundgård, Keld Troen; Jacobsen, Karsten Wedel; Bligaard, Thomas .

    In: The Journal of Chemical Physics, Vol. 140, No. 14, 2014, p. 144107.

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

  19. Published

    New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations. / Castelli, Ivano Eligio; Hüser, Falco; Pandey, Mohnish; Li, Hong; Thygesen, Kristian Sommer; Seger, Brian; Jain, Anubhav; Persson, Kristin A.; Ceder, Gerbrand; Jacobsen, Karsten Wedel.

    In: Advanced Energy Materials, 2014, p. 1400915.

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

  20. Published

    Plasmons on the edge of MoS2 nanostructures. / Andersen, Kirsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 90, No. 16, 2014, p. 161410.

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

  21. 2013
  22. Published
  23. Published

    Computational Approach to Electron Charge Transfer Reactions. / Jónsson, Elvar Örn; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor); Ulstrup, Jens (Supervisor).

    Department of Physics, Technical University of Denmark, 2013. 241 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2014

  24. 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. 204 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2014

  25. 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

  26. Published
  27. Published
  28. Published

    Performance of genetic algorithms in search for water splitting perovskites. / Jain, A.; Castelli, Ivano Eligio; Hautier, G.; Bailey, D.H. ; Jacobsen, Karsten Wedel.

    In: Journal of Materials Science, Vol. 48, No. 19, 2013, p. 6519-6534.

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

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