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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Surface Tension Effects on the Reactivity of Metal Nanoparticles
TL;DR: It is found that surface tension of the clusters induces a compression, which weakens the bonding of adsorbates compared with the bonding on extended surfaces, which is largest at low coverage and decreases, even changing sign, at higher coverages where the strain changes from compressive to tensile.
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Surface stress, surface elasticity, and the size effect in surface segregation.
Michael Schmid,Werner A. Hofer,Peter Varga,Per Stoltze,Karsten Wedel Jacobsen,Jens K. Nørskov +5 more
TL;DR: In this article, the authors used artificial atoms with modified size to probe the stress and elasticity of individual layers of low-index fcc surfaces using effective medium theory potentials.
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Enzymatic versus Inorganic Oxygen Reduction Catalysts: Comparison of the Energy Levels in a Free-Energy Scheme
TL;DR: This paper presents a method to directly compare the energy levels of intermediates in enzymatic and inorganic oxygen reduction catalysts, and determines the so-called theoretical overpotential of each system, which is shown to be significantly lower for the enzyme catalysts compared to the inorganic Pt(111) catalyst.
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Two-Dimensional Materials as Catalysts for Energy Conversion
Samira Siahrostami,Charlie Tsai,Charlie Tsai,Mohammadreza Karamad,Ralph Koitz,Ralph Koitz,Max García-Melchor,Max García-Melchor,Michal Bajdich,Aleksandra Vojvodic,Frank Abild-Pedersen,Jens K. Nørskov,Jens K. Nørskov,Felix Studt,Felix Studt +14 more
TL;DR: In this article, the authors employ density functional theory to examine a variety of two-dimensional materials, including, carbon based materials, hexagonal boron nitride (h-BN), transition metal dichalcogenides (e.g. MoS2, MoSe2) and layered oxides, to give an overview of the trends in adsorption energies.
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Molecular aspects of the H2 activation on MoS2 based catalysts — the role of dynamic surface arrangements
TL;DR: In this paper, density functional calculations of the dissociation of H2 on the edges of a Co promoted MoS2 (Co-Mo-S) slab have been performed, and the results show that the heterolytic dissociation is not favored, but there appears to exist different homolytic pathways with similar activation barriers.