Jens K. Nørskov

Research topics

• Electrocatalysts for Energy Conversion · 5 papers
• Molecular Junctions and Nanostructures · 2 papers
• Electrochemical Analysis and Applications · 2 papers
• Machine Learning in Materials Science · 2 papers
• Catalytic Processes in Materials Science · 2 papers
• Fuel Cells and Related Materials · 2 papers

Frequent co-authors

• John R. Kitchin · 3 papers
• Jan Rossmeisl · 2 papers
• Áshildur Logadóttir · 2 papers
• Thomas Bligaard · 2 papers
• Ib Chorkendorff · 2 papers
• Thomas Francisco Jaramillo · 2 papers
• Laura Louise Lindqvist · 1 paper
• Hannes Jónsson · 1 paper

Papers

1. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell CathodeThe Journal of Physical Chemistry B · 2004 · 13,292 citations

   We present a method for calculating the stability of reaction intermediates of electrochemical processes on the basis of electronic structure calculations. We used that method in combination with detailed density functional calculations to develop a detailed description of the free-energy…

2. Combining theory and experiment in electrocatalysis: Insights into materials designScience · 2017 · 12,197 citations

   Electrocatalysis plays a central role in clean energy conversion, enabling a number of sustainable processes for future technologies. This review discusses design strategies for state-of-the-art heterogeneous electrocatalysts and associated materials for several different electrochemical transformations involving water, hydrogen, and oxygen,…

3. Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionalsPhysical review. B, Condensed matter · 1999 · 8,403 citations

   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) [Phys. Rev. Lett. 77, 3865 (1996)]. Subsequently Zhang and Yang [Phys. Rev. Lett. 80, 890…

4. Trends in the Exchange Current for Hydrogen EvolutionJournal of The Electrochemical Society · 2005 · 6,111 citations

   A density functional theory database of hydrogen chemisorption energies on close packed surfaces of a number of transition and noble metals is presented. The bond energies are used to understand the trends in the exchange current for hydrogen evolution. A…

5. Universality in Oxygen Evolution Electrocatalysis on Oxide SurfacesChemCatChem · 2011 · 4,801 citations

   Abstract Trends in electrocatalytic activity of the oxygen evolution reaction (OER) are investigated on the basis of a large database of HO* and HOO* adsorption energies on oxide surfaces. The theoretical overpotential was calculated by applying standard density functional theory…

6. Biomimetic Hydrogen Evolution: MoS 2 Nanoparticles as Catalyst for Hydrogen EvolutionJournal of the American Chemical Society · 2005 · 4,080 citations

   The electrochemical hydrogen evolution reaction is catalyzed most effectively by the Pt group metals. As H2 is considered as a future energy carrier, the need for these catalysts will increase and alternatives to the scarce and expensive Pt group catalysts…

7. The Active Site of Methanol Synthesis over Cu/ZnO/Al 2 O 3 Industrial CatalystsScience · 2012 · 2,680 citations

   Mechanisms in Methanol Catalysis The industrial production of methanol from hydrogen and carbon monoxide depends on the use of copper and zinc oxide nanoparticles on alumina oxide supports. This catalyst is “structure sensitive”; its activity can vary by orders of…