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.
Papers
More filters
Journal ArticleDOI
A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction
Egill Skúlason,Egill Skúlason,Thomas Bligaard,Thomas Bligaard,Thomas Bligaard,Sigridur Gudmundsdottir,Felix Studt,Jan Rossmeisl,Frank Abild-Pedersen,Tejs Vegge,Hannes Jónsson,Hannes Jónsson,Jens K. Nørskov,Jens K. Nørskov +13 more
TL;DR: Density functional theory calculations were used in combination with the computational standard hydrogen electrode to calculate the free energy profile for the reduction of N(2) admolecules and N adatoms on several close-packed and stepped transition metal surfaces in contact with an acidic electrolyte.
Journal ArticleDOI
Surface electronic structure and reactivity of transition and noble metals
TL;DR: In this article, self-consistent density functional calculations using the LMTO-ASA method of the variations in the surface electronic structure for pseudomorfic overlayers and impurities of Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au on the other metals are presented.
Journal ArticleDOI
From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis
Andrew J. Medford,Aleksandra Vojvodic,Jens S. Hummelshøj,Johannes Voss,Frank Abild-Pedersen,Felix Studt,Thomas Bligaard,Anders Nilsson,Jens K. Nørskov +8 more
TL;DR: In this paper, scaling relations are correlated between surface bond energies of different adsorbed species including transition states, and the resulting activity map can be viewed as a quantitative implementation of the classical Sabatier principle, which states that there is an optimum "bond strength" defining the best catalyst for a given reaction.
Journal ArticleDOI
Materials for solar fuels and chemicals
Joseph Montoya,Linsey C. Seitz,Linsey C. Seitz,Linsey C. Seitz,Pongkarn Chakthranont,Pongkarn Chakthranont,Aleksandra Vojvodic,Aleksandra Vojvodic,Thomas F. Jaramillo,Thomas F. Jaramillo,Jens K. Nørskov,Jens K. Nørskov +11 more
TL;DR: This Review highlights recent milestones in photoelectrocatalytic technologies and some key scientific challenges remaining between the current state of the art and a technology that can effectively convert sunlight into fuels and chemicals.
Journal ArticleDOI
Ammonia synthesis from first-principles calculations.
Karoliina Honkala,Anders Hellman,Ioannis N. Remediakis,Ashildur Logadottir,Anna Carlsson,Søren Dahl,Claus H. Christensen,Jens K. Nørskov +7 more
TL;DR: The rate of ammonia synthesis over a nanoparticle ruthenium catalyst can be calculated directly on the basis of a quantum chemical treatment of the problem using density functional theory, and offers hope for computer-based methods in the search for catalysts.