Jens K. Nørskov

发表

Svetlozar Nestorov, Thomas Bligaard, Marcin Dulak, 2012, Computing in Science & Engineering.

Indirect Hydrogen storage in Metal Amine Complexes for Portable Devises

Claus H. Christensen, Jens K. Nørskov, K. Asbjørn, 2008 .

Basic Research Needs for Catalysis Science to Transform Energy Technologies: Report from the U.S. Department of Energy, Office of Basic Energy Sciences Workshop May 8–10, 2017, in Gaithersburg, Maryland

Yong Wang, Thomas F. Jaramillo, Frances A. Houle, 2017 .

Computational materials design from first principles

Martin Andersson, Claus H. Christensen, Jens K. Nørskov, 2006 .

Bio-inspired co-catalysts bonded to a silicon photocathode for solar hydrogen evolution

Ib Chorkendorff, Billie L. Abrams, Konrad Herbst, 2011, Optics + Photonics for Sustainable Energy.

Virtual Special Issue on Catalysis at the U.S. Department of Energy’s National Laboratories

Todd G. Deutsch, Yong Wang, Alex Harris, 2016 .

Origins of the Instability of Non-precious HER Catalysts at Open Circuit Potential

Joseph Montoya, Ib Chorkendorff, Jakob Kibsgaard, 2021 .

Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction

Nathan S. Lewis, Christopher Hahn, Thomas F. Jaramillo, 2017 .

Methanol-to-hydrocarbons conversion: The alkene methylation pathway

Yves Schuurman, Andrew J. Medford, Unni Olsbye, 2014 .

ZnO As an Active and Selective Catalyst for Electrochemical Water Oxidation to Hydrogen Peroxide

Seoin Back, Xiaolin Zheng, Samira Siahrostami, 2019, ACS Catalysis.

Hydrogen and Synthesis gas by Steam- and CO2 reforming

Jens R. Rostrup-Nielsen, Jens K. Nørskov, J. Nørskov, 2002 .

Atomic and molecular adsorption on Rh(111)

Manos Mavrikakis, Jens K. Nørskov, Jeffrey Greeley, 2002 .

A Microkinetic Analysis of the Water–Gas Shift Reaction under Industrial Conditions

Ib Chorkendorff, Jens K. Nørskov, Per Stoltze, 1996 .

A Kinetic Model of Methanol Synthesis

Jens K. Nørskov, Per Stoltze, J. Nørskov, 1995 .

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

Andrew A. Peterson, Jens K. Nørskov, Frank Abild-Pedersen, 2010 .

Elastic Effects behind Cooperative Bonding in β-Sheets

Karsten Wedel Jacobsen, Jens K. Nørskov, Jan Rossmeisl, 2004 .

Electronic origin of the surface reactivity of transition-metal-doped TiO2(110)

Jens K. Nørskov, Frank Abild-Pedersen, Mónica García-Mota, 2013 .

CO methanation over supported bimetallic Ni–Fe catalysts: From computational studies towards catalyst optimization

Claus H. Christensen, Anne Mette Frey, Jens K. Nørskov, 2007 .

Insights into CC Coupling in CO2 Electroreduction on Copper Electrodes

Joseph Montoya, Andrew A. Peterson, Jens K. Nørskov, 2013 .

Theory of the oxygen-induced restructuring of Cu(110) and Cu(100) surfaces

Karsten Wedel Jacobsen, Jens K. Nørskov, J. Nørskov, 1990 .

Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide

Thomas F. Jaramillo, Xiaolin Zheng, Samira Siahrostami, 2017, Nature Communications.

Theoretical Studies of Stability and Reactivity of CHx Species on Ni(111)

Jens R. Rostrup-Nielsen, James A. Dumesic, Jens K. Nørskov, 2000 .

Modeling the electrified solid-liquid interface

Egill Skúlason, Jens K. Nørskov, Jan Rossmeisl, 2008 .

Structure and Reactivity of Ni−Au Nanoparticle Catalysts

Jens K. Nørskov, J. Nørskov, B. Clausen, 2001 .

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

Thomas Bligaard, Karsten Wedel Jacobsen, Keld T. Lundgaard, 2012 .

The Brønsted-Evans-Polanyi relation and the volcano plot for ammonia synthesis over transition metal catalysts

Søren Dahl, Jens K. Nørskov, Claus J. H. Jacobsen, 2001 .

Modeling the Nitrogenase FeMo Cofactor

Jens K. Nørskov, J. Nørskov, Thomas H. Rod and, 2000 .

Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts

Andrew A. Peterson, Jens K. Nørskov, J. Nørskov, 2012 .

Monte Carlo simulations of adsorption-induced segregation

Jens K. Nørskov, Per Stoltze, J. Nørskov, 2002 .

Lithium and oxygen vacancies and their role in Li2O2 charge transport in Li–O2 batteries

Venkatasubramanian Viswanathan, Joel B. Varley, Jens K. Nørskov, 2014 .

Density Functional Theory in Surface Science and Heterogeneous Catalysis

Matthias Scheffler, Hervé Toulhoat, Jens K. Nørskov, 2006 .

Combinatorial Density Functional Theory-Based Screening of Surface Alloys for the Oxygen Reduction Reaction

Jens K. Nørskov, Jeffrey Greeley, J. Nørskov, 2009 .

The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis

Thomas Bligaard, Claus H. Christensen, Søren Dahl, 2004 .

CO oxidation on gold nanoparticles: Theoretical studies

Núria López, Jens K. Nørskov, J. Nørskov, 2005 .

High throughput experimental and theoretical predictive screening of materials : A comparative study of search strategies for new fuel cell anode catalysts

W. H. Weinberg, Peter Strasser, Jens K. Nørskov, 2003 .

Determination of metal particle sizes from EXAFS

Jens K. Nørskov, Per Stoltze, Henrik Topsøe, 1994 .

CO and CO2 Hydrogenation to Methanol Calculated Using the BEEF-vdW Functional

Joel B. Varley, Jens K. Nørskov, Frank Abild-Pedersen, 2013, Catalysis Letters.

Molecular N2 chemisorption—specific adsorption on step defect sites on Pt surfaces

Manos Mavrikakis, Jens K. Nørskov, C. Emil Tripa, 1999 .

Discovery of technical methanation catalysts based on computational screening

Thomas Bligaard, Anne Mette Frey, Jens K. Nørskov, 2007 .

Theoretical Limits to the Anode Potential in Aqueous Mg–Air Batteries

Jens K. Nørskov, J. Nørskov, A. Luntz, 2015 .

Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations

Jens K. Nørskov, Jeffrey Greeley, J. Nørskov, 2007 .

Towards an ammonia-mediated hydrogen economy?

Claus H. Christensen, Jens K. Nørskov, Rasmus Zink Sørensen, 2006 .

On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation

Núria López, Thomas Bligaard, Manos Mavrikakis, 2004 .

Island shapes in homoepitaxial growth of Pt(111)

Karsten Wedel Jacobsen, Jens K. Nørskov, Joachim Jacobsen, 1996 .

Functional Independent Scaling Relation for ORR/OER Catalysts

Tejs Vegge, Heine Anton Hansen, Jens K. Nørskov, 2016 .

How to Power a Nanomotor

Flemming Besenbacher, Jens K. Nørskov, J. Nørskov, 2000, Science.

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Thomas Bligaard, Andrew J. Medford, Anders Nilsson, 2015 .

Experimental and computational studies on structural transitions in the LiBH4–LiI pseudobinary system

Mamoru Matsuo, Tejs Vegge, Hiroyuki Oguchi, 2009 .

Optimal Catalyst Curves: Connecting Density Functional Theory Calculations with Industrial Reactor Design and Catalyst Selection

Astrid Boisen, Søren Dahl, Jens K. Nørskov, 2002 .

Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides

Venkatasubramanian Viswanathan, Alexis T. Bell, Jens K. Nørskov, 2012 .

Toward computational screening in heterogeneous catalysis: Pareto-optimal methanation catalysts

Thomas Bligaard, Martin Andersson, Claus H. Christensen, 2006 .

Tunneling and Polaron Charge Transport through Li2O2 in Li–O2 Batteries

Venkatasubramanian Viswanathan, Joel B. Varley, Jens K. Nørskov, 2013 .

Anode materials for low-temperature fuel cells : A density functional theory study

Andrei V. Ruban, Ping Liu, Jens K. Nørskov, 2001 .

The role of transition metal interfaces on the electronic transport in lithium–air batteries

Tejs Vegge, Kristian Sommer Thygesen, Jens S. Hummelshøj, 2011 .

A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements

Adam C. Nielander, Thomas F. Jaramillo, Brian A. Rohr, 2019, Nature.

CO hydrogenation to methanol on Cu–Ni catalysts: Theory and experiment

Anker Degn Jensen, Jens K. Nørskov, Frank Abild-Pedersen, 2012 .

First-principles investigations of the Ni3Sn alloy at steam reforming conditions

Jens K. Nørskov, Berit Hinnemann, Frank Abild-Pedersen, 2009 .

A New Procedure for Particle Size Determination by EXAFS Based on Molecular Dynamics Simulations

Jens K. Nørskov, Per Stoltze, J. Nørskov, 1993 .

Trends in the exchange current for hydrogen evolution

Thomas Bligaard, Ulrich Stimming, John R. Kitchin, 2005 .

Direct observation of the oxygenated species during oxygen reduction on a platinum fuel cell cathode

Venkatasubramanian Viswanathan, Anders Nilsson, Heine Anton Hansen, 2013, Nature Communications.

CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

Thomas Bligaard, Andrew J. Medford, Chuan Shi, 2015, Catalysis Letters.

The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional study

Jens K. Nørskov, Berit Hinnemann, Poul Georg Moses, 2007 .

Catalytic activity of Au nanoparticles

Claus H. Christensen, Jens K. Nørskov, Hanne Falsig, 2007 .

Activity and Selectivity Trends in Synthesis Gas Conversion to Higher Alcohols

Andrew J. Medford, Jens K. Nørskov, Frank Abild-Pedersen, 2014, Topics in Catalysis.

Toward Efficient Hydrogen Production at Surfaces

Claus H. Christensen, Jens K. Nørskov, J. Nørskov, 2006, Science.

Theoretical surface science and catalysis—calculations and concepts

Jens K. Nørskov, Bjørk Hammer, J. Nørskov, 2000 .

Formation energies of group I and II metal oxides using random phase approximation

Jens S. Hummelshøj, Jens K. Nørskov, Jun Yan, 2013 .

Formation energies of rutile metal dioxides using density functional theory

Heine Anton Hansen, Jens K. Nørskov, Jan Rossmeisl, 2009 .

The Effect of Anharmonicity on the EXAFS Coordination Number in Small Metallic Particles

Jens K. Nørskov, Per Stoltze, J. Nørskov, 1993 .

Electrochemical Ammonia Synthesis-The Selectivity Challenge

Thomas F. Jaramillo, Brian A. Rohr, Ib Chorkendorff, 2017 .

A semi-empirical effective medium theory for metals and alloys

Karsten Wedel Jacobsen, Jens K. Nørskov, Per Stoltze, 1996 .

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

Thomas Bligaard, Hannes Jónsson, Egill Skúlason, 2010 .

The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

Egill Skúlason, Samira Siahrostami, Jens K. Nørskov, 2010 .

Sintering of nickel steam-reforming catalysts: effects of temperature and steam and hydrogen pressures

Jens K. Nørskov, J. Nørskov, Hanne Skov Bengaard, 2004 .

Surface segregation energies in transition-metal alloys

Andrei V. Ruban, Jens K. Nørskov, Hans Lomholt Skriver, 1999 .

Finite-Size Effects in O and CO Adsorption for the Late Transition Metals

Andrew J. Medford, Amit Kushwaha, Lars C. Grabow, 2012, Topics in Catalysis.

Density functional theory in surface chemistry and catalysis

Thomas Bligaard, Jens K. Nørskov, Frank Abild-Pedersen, 2011, Proceedings of the National Academy of Sciences.

Electronic factors determining the reactivity of metal surfaces

Jens K. Nørskov, Bjørk Hammer, J. Nørskov, 1995 .

Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfaces

Andrew A. Peterson, William J. Durand, Jens K. Nørskov, 2011 .

Pareto-optimal methanation catalysts

Thomas Bligaard, Martin Andersson, Claus H. Christensen, 2006 .

Exploring the limits: A low-pressure, low-temperature Haber–Bosch process

Thomas Bligaard, Andrew J. Medford, Jens K. Nørskov, 2014 .

Assessing the reliability of calculated catalytic ammonia synthesis rates

Thomas Bligaard, Andrew J. Medford, Jens K. Nørskov, 2014, Science.

Optimizing Perovskites for the Water-Splitting Reaction

Jens K. Nørskov, A. Vojvodić, J. Nørskov, 2011, Science.

Catalysis: Bond control in surface reactions

Jens K. Nørskov, Frank Abild-Pedersen, 2009, Nature.

A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

Thomas Bligaard, Charles T. Campbell, Delfina Garcia-Pintos, 2015 .

A kinetic model of the water gas shift reaction

Charles T. Campbell, Jens K. Nørskov, Per Stoltze, 1992 .

Atomic-scale insight into structure and morphology changes of MoS2 nanoclusters in hydrotreating catalysts

Karsten Wedel Jacobsen, Jeppe V. Lauritsen, Flemming Besenbacher, 2004 .

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

Venkatasubramanian Viswanathan, Heine Anton Hansen, Jens K. Nørskov, 2012 .

The CO/Pt(111) puzzle

Frank R. Wagner, James A. Dumesic, Matthias Scheffler, 2000 .