Mikkel Jørgensen

Showing 16 publications

2019

Perspectives on Computational Catalysis for Metal Nanoparticles

Mikkel Jørgensen, Henrik Grönbeck
ACS Catalysis. Vol. 9 (10), p. 8872-8881
Journal article
2019

Kinetics of Nanoparticle Catalysis from First Principles

Mikkel Jørgensen
Doctoral thesis
2019

Strain affects CO oxidation on metallic nanoparticles non-linearly

Mikkel Jørgensen, Henrik Grönbeck
Topics in Catalysis. Vol. 62 (7-11), p. 660-668
Journal article
2019

Selective Acetylene Hydrogenation over Single-Atom Alloy Nanoparticles by Kinetic Monte Carlo

Mikkel Jørgensen, Henrik Grönbeck
Journal of the American Chemical Society. Vol. 141 (21), p. 8541-8549
Journal article
2018

Influence of atomic site-specific strain on catalytic activity of supported nanoparticles

Torben Nilsson Pingel, Mikkel Jørgensen, Andrew Yankovich et al
Nature Communications. Vol. 9 (1)
Journal article
2018

The Site‐Assembly Determines Catalytic Activity of Nanoparticles

Mikkel Jørgensen, Henrik Grönbeck
Angewandte Chemie - International Edition. Vol. 57 (18), p. 5086-5089
Journal article
2018

Monte Carlo Potential Energy Sampling for Molecular Entropy in Zeolites

Mikkel Jørgensen, Lin Chen, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 122 (35), p. 20351-20357
Journal article
2018

MonteCoffee: A programmable kinetic Monte Carlo framework

Mikkel Jørgensen, Henrik Grönbeck
Journal of Chemical Physics. Vol. 149 (11)
Journal article
2017

Scaling Relations and Kinetic Monte Carlo Simulations To Bridge the Materials Gap in Heterogeneous Catalysis

Mikkel Jørgensen, Henrik Grönbeck
ACS Catalysis. Vol. 7 (8), p. 5054-5061
Journal article
2017

Adsorbate Entropies with Complete Potential Energy Sampling in Microkinetic Modeling

Mikkel Jørgensen, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 121 (13), p. 7199-7207
Journal article
2017

Connection between macroscopic kinetic measurables and the degree of rate control

Mikkel Jørgensen, Henrik Grönbeck
Catalysis Science and Technology. Vol. 7 (18), p. 4034-4040
Journal article
2016

First-Principles Microkinetic Modeling of Methane Oxidation over Pd(100) and Pd(111)

Mikkel Jørgensen, Henrik Grönbeck
ACS Catalysis. Vol. 6 (10), p. 6730-6738
Journal article
2016

First-Principles Microkinetic Modeling of Methane Oxidation over Pd

Mikkel Jørgensen
EPSRC-Toucan Grant International Conference on “Shaping Nanocatalysts”, December 14-16, 2016, London, UK
Paper in proceeding
2016

H-2/D-2 exchange reaction on mono-disperse Pt clusters: enhanced activity from minute O-2 concentrations

J. N. Riedel, M. D. Rotzer, Mikkel Jørgensen et al
Catalysis Science and Technology. Vol. 6 (18), p. 6893-6900
Journal article
2016

Ab-initio Kinetic Modeling of Complete Methane Oxidation over Metallic Pd(111) and Pd(100)

Mikkel Jørgensen
17th Nordic Symposium on Catalysis, June 14-16, 2016 Lund, Sweden
Paper in proceeding

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