All Stories

  1. Is the water/Pt(111) interface ordered at room temperature?

    Article • The Journal of Chemical Physics, December 2021, American Institute of Physics

    Tejs Vegge

  2. The effect of CO2 contamination in rechargeable non-aqueous sodium–air batteries

    Article • The Journal of Chemical Physics, February 2020, American Institute of Physics

    Tejs Vegge

  3. A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO2 reduction

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Tejs Vegge

  4. Identifying systematic DFT errors in catalytic reactions

    Article • Catalysis Science & Technology, January 2015, Royal Society of Chemistry

    Tejs Vegge

  5. Selective poisoning of Li–air batteries for increased discharge capacity

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Tejs Vegge

  6. Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Tejs Vegge

  7. Surface adsorption in strontium chloride ammines

    Article • The Journal of Chemical Physics, April 2013, American Institute of Physics

    Tejs Vegge

  8. First principles investigation of zinc-anode dissolution in zinc–air batteries

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Tejs Vegge

  9. DFT based study of transition metal nano-clusters for electrochemical NH3 production

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Tejs Vegge

  10. Electrochemical ammonia production on molybdenum nitride nanoclusters

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Tejs Vegge

  11. The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7−δ pyrochlore from DFT calculations and FTIR spectroscopy

    Article • Journal of Applied Physics, August 2012, American Institute of Physics

    Tejs Vegge

  12. A method for finding the ridge between saddle points applied to rare event rate estimates

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Tejs Vegge, Professor Hannes Jónsson

  13. A theoretical evaluation of possible transition metal electro-catalysts for N2reduction

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Tejs Vegge, Professor Hannes Jónsson

  14. Ab initio charge analysis of pure and hydrogenated perovskites

    Article • Journal of Applied Physics, February 2011, American Institute of Physics

    Tejs Vegge

  15. A multifaceted approach to hydrogen storage

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Tejs Vegge, Adem Tekin

  16. Thermodynamic and kinetic properties of hydrogen defect pairs in SrTiO3 from density functional theory

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Tejs Vegge

  17. Ammonia dynamics in magnesium ammine from DFT and neutron scattering

    Article • Energy & Environmental Science, January 2010, Royal Society of Chemistry

    Tejs Vegge, Adem Tekin