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Theoretical and Computational Chemistry

Working Paper

First Principles Micro-kinetic Model of Catalytic Non-oxidative Dehydrogenation of Ethane over Close-packed Metallic Facets

Martin Hangaard Hansen, Jens K. Nørskov, Thomas Bligaard

Version 2 posted 20 March 2019

1,293

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Catalysis

Working Paper

Limits to scaling relations between adsorption energies?

Sudarshan Vijay, Georg Kastlunger, Karen Chan, Jens Nørskov

Version 1 posted 20 April 2022

1,037

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Catalysis

Working Paper

A spin promotion effect in catalytic ammonia synthesis

Ang Cao, Vanessa Jane Bukas, Vahid Shadravan, Zhenbin Wang, Jakob Kibsgaard, Hao Li, Ib Chorkendorff, Jens Kehlet Nørskov

Version 1 posted 28 February 2022

409

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Theoretical and Computational Chemistry

Working Paper

Catalysis-hub.org: An Open Electronic Structure Database for Surface Reactions

Kirsten Winther, Max J. Hoffmann, Osman Mamun, Jacob R. Boes, Jens K. Nørskov, Michal Bajdich, Thomas Bligaard

Version 2 posted 19 November 2018

1,650

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Predicting Aqueous Stability of Solid with Computed Pourbaix Diagram using SCAN Functional

Zhenbin Wang, Xingyu Guo, Joseph H. Montoya, Jens Kehlet Nørskov

Version 1 posted 24 August 2020

368

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Catalysis

Working Paper

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

Raul Flores, Christopher Paolucci, Kirsten Winther, Ankit Jain, Jose Antonio Garrido Torres, Muratahan Aykol, Joseph H. Montoya, Jens Kehlet Nørskov, Michal Bajdich, Thomas Bligaard

Version 1 posted 06 May 2020

1,167

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Catalysis

Working Paper

Circumventing Scaling Relations in Oxygen Electrochemistry using Metal-Organic Frameworks

Tyler Sours, Anjli Patel, Jens Kehlet Nørskov, Samira Siahrostami, Ambarish Kulkarni

Version 1 posted 25 September 2020

587

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Theoretical and Computational Chemistry

Working Paper

OH binding energy as a universal descriptor of the potential of zero charge on transition metal surfaces

Sara Kelly, Hendrik Heenen, Nitish Govindarajan, Karen Chan, Jens Nørskov

Version 1 posted 07 December 2021

933

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Catalysis

Working Paper

Facile Electron Transfer to CO2 during Adsorption at the Metal | Solution Interface

Joseph Gauthier, Meredith Fields, Michal Bajdich, Leanne D. Chen, Robert B. Sandberg, Karen Chan, Jens Kehlet Nørskov

Version 2 posted 29 October 2019

1,488

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Catalysis

Working Paper

A Molecular-Level Mechanism of the Biological N2 Fixation

Vanessa Jane Bukas, Jens Kehlet Nørskov

Version 1 posted 25 October 2019

1,463

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3

Citations

Refine Search

14 results in Jens Nørskov in Authors: Jens Nørskov

First Principles Micro-kinetic Model of Catalytic Non-oxidative Dehydrogenation of Ethane over Close-packed Metallic Facets

Limits to scaling relations between adsorption energies?

A spin promotion effect in catalytic ammonia synthesis

Catalysis-hub.org: An Open Electronic Structure Database for Surface Reactions

Predicting Aqueous Stability of Solid with Computed Pourbaix Diagram using SCAN Functional

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

Circumventing Scaling Relations in Oxygen Electrochemistry using Metal-Organic Frameworks

OH binding energy as a universal descriptor of the potential of zero charge on transition metal surfaces

Facile Electron Transfer to CO2 during Adsorption at the Metal | Solution Interface

A Molecular-Level Mechanism of the Biological N2 Fixation

14 results in Authors: Jens Nørskov