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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Journal ArticleDOI
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Jens K. Nørskov,Jan Rossmeisl,and Ashildur Logadottir,L. Lindqvist,John R. Kitchin,Thomas Bligaard,Hannes Jónsson +6 more
TL;DR: In this paper, the stability of reaction intermediates of electrochemical processes on the basis of electronic structure calculations was analyzed and a detailed description of the free energy landscape of the electrochemical oxygen reduction reaction over Pt(111) as a function of applied bias was presented.
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Combining theory and experiment in electrocatalysis: Insights into materials design
Zhi Wei Seh,Zhi Wei Seh,Zhi Wei Seh,Jakob Kibsgaard,Jakob Kibsgaard,Jakob Kibsgaard,Colin F. Dickens,Colin F. Dickens,Ib Chorkendorff,Jens K. Nørskov,Jens K. Nørskov,Thomas F. Jaramillo,Thomas F. Jaramillo +12 more
TL;DR: A unified theoretical framework highlights the need for catalyst design strategies that selectively stabilize distinct reaction intermediates relative to each other, and opens up opportunities and approaches to develop higher-performance electrocatalysts for a wide range of reactions.
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Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
TL;DR: In this paper, a simple formulation of a generalized gradient approximation for the exchange and correlation energy of electrons has been proposed by Perdew, Burke, and Ernzerhof (PBE), which improves the chemisorption energy of atoms and molecules on transition-metal surfaces.
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Biomimetic Hydrogen Evolution: MoS2 Nanoparticles as Catalyst for Hydrogen Evolution
Berit Hinnemann,Poul Georg Moses,Jacob Lindner Bonde,Kristina Pilt Jørgensen,Jane Hvolbæk Nielsen,Sebastian Horch,Ib Chorkendorff,Jens K. Nørskov +7 more
TL;DR: The ability of different metal surfaces and of the enzymes nitrogenase and hydrogenase to catalyze the hydrogen evolution reaction is analyzed and a necessary criterion for high catalytic activity is found: that the binding free energy of atomic hydrogen to the catalyst is close to zero.
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Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
TL;DR: A density functional theory-based, high-throughput screening scheme that successfully uses these strategies to identify a new electrocatalyst for the hydrogen evolution reaction (HER), which is found to have a predicted activity comparable to, or even better than, pure Pt, the archetypical HER catalyst.