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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Insights into the reactivity of supported Au nanoparticles: combining theory and experiments
Ton V. W. Janssens,Bjerne S. Clausen,Britt Hvolbæk,Hanne Falsig,Claus H. Christensen,Thomas Bligaard,Jens K. Nørskov +6 more
TL;DR: In this paper, the origin of catalytic activity of gold nanoparticles is discussed on the basis of density-functional calculations, adsorption studies on single crystal surfaces, and activity measurements on well characterized supported gold particles.
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To address surface reaction network complexity using scaling relations machine learning and DFT calculations
TL;DR: A framework for optimization under uncertainty for heterogeneous catalysis reaction networks using surrogate models that are trained on the fly to predict the most important reaction step to be calculated explicitly with computationally demanding electronic structure theory.
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Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
Jens S. Hummelshøj,Jakob Blomqvist,Soumendu Datta,Tejs Vegge,Jan Rossmeisl,Kristian Sommer Thygesen,Alan C. Luntz,Karsten Wedel Jacobsen,Jens K. Nørskov +8 more
TL;DR: Using density functional theory to estimate the free energy of intermediates during the discharge and charge of the battery, a reaction free energy diagram is introduced and possible origins of the overpotential for both processes are identified.
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Oxygen chemisorption on metal surfaces: General trends for Cu, Ni and Ag
TL;DR: A review of the present understanding of the chemisorption of oxygen on metal surfaces such as Cu, Ni, and Ag is given in this paper, with special emphasis on how recent scanning tunneling microscopy results for the dynamics of oxygen-induced reconstructions in many cases give new insight also into the static surface structures.
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The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts
Felix Studt,Felix Studt,Malte Behrens,Malte Behrens,Edward L. Kunkes,Nygil Thomas,Nygil Thomas,Stefan Zander,Andrey Tarasov,Julia Schumann,Elias Frei,Joel B. Varley,Joel B. Varley,Frank Abild-Pedersen,Frank Abild-Pedersen,Jens K. Nørskov,Jens K. Nørskov,Robert Schlögl,Robert Schlögl +18 more
TL;DR: In this article, the authors show how the presence or absence of the Zn promoter dramatically changes not only the activity, but also unexpectedly the reaction mechanism itself, and propose two different sites for methanol synthesis, Zn-promoted and unpromoted.