J
Jens K. Nørskov
Researcher at Technical University of Denmark
Publications - 723
Citations - 181092
Jens K. Nørskov is an academic researcher from Technical University of Denmark. The author has contributed to research in topics: Catalysis & Density functional theory. The author has an hindex of 184, co-authored 706 publications receiving 146151 citations. Previous affiliations of Jens K. Nørskov include Aarhus University & Fritz Haber Institute of the Max Planck Society.
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Stable Two-Dimensional Materials for Oxygen Reduction and Oxygen Evolution Reactions
TL;DR: Using density functional theory-predicted energies, it is suggested that less than 35 materials are stable under the strongly oxidizing operating conditions of oxygen reduction and/or oxygen evolution reactions in acidic media.
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Trends in oxygen reduction and methanol activation on transition metal chalcogenides
TL;DR: In this paper, the effect of the chalcogen on the activity, selectivity and stability of the catalyst was investigated with ruthenium selenium as a starting point.
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Ammonia dynamics in magnesium ammine from DFT and neutron scattering
Adem Tekin,Jens S. Hummelshøj,Hjalte Sylvest Jacobsen,Dadi Þorsteinn Sveinbjörnsson,Didier Blanchard,Jens K. Nørskov,Tejs Vegge +6 more
TL;DR: In this paper, a density functional theory (DFT) and quasielastic neutron scattering (QENS) was used to investigate the mechanisms and processes involved in the NH3 ab-and desorption kinetics.
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Electronic shell structure and chemisorption on gold nanoparticles
Ask Hjorth Larsen,Jesper Kleis,Kristian Sommer Thygesen,Jens K. Nørskov,Karsten Wedel Jacobsen +4 more
TL;DR: In this paper, the electronic structure and chemical properties of gold nanoparticles were investigated using density functional theory (DFT) and simulated annealing for up to 60 atoms and up to 200 atoms.
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Efficient Pourbaix diagrams of many-element compounds.
TL;DR: In this paper, the authors proposed an alternative Pourbaix construction method that filters all potential combinations of species in a system to only those present on a compositional convex hull, by including axes representing the quantities of H+ and e- required to form a given phase.