Mikkel Jørgensen

Doktorand at Chalmers, Physics, Chemical Physics

My research is focused on theoretical heterogeneous catalysis combining Density Functional Theory (DFT) with microkinetic modeling. In this project I will develop and implement a multi-scale theoretical framework for studying catalytic reactions on nanoparticles where the conventional mean-field approximation is challenged. The research is furthermore focused on unraveling the detailed mechanisms and kinetics of catalytic reactions on nanoparticles during catalytic reactions. This information has multiple practical applications, where one example is improving automotive exhaust after-treatment by catalyst design.Keywords: Micro-kinetic modeling, Supported Particles, Nano catalysis, Density Functional Theory. I obtained my MSc in Engineering (Physics and Nanotechnology) from the Technical University of Denmark(DTU) in 2015.

Source: chalmers.se

Showing 12 publications

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
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

MonteCoffee: A programmable kinetic Monte Carlo framework

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

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

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

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 proceedings
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 proceedings
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

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

Save references

If you have installed Zotero or Mendeley on your computer you can use a plugin to extract references from the publications you see.

Download plugins:
Zotero
Mendeley

There are no projects.
There might be more projects where Mikkel Jørgensen participates, but you have to be logged in as a Chalmers employee to see them.