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The Site‐Assembly Determines Catalytic Activity of Nanoparticles
Author(s) -
Jørgensen Mikkel,
Grönbeck Henrik
Publication year - 2018
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201802113
Subject(s) - catalysis , nanoparticle , kinetic monte carlo , particle (ecology) , kinetics , monte carlo method , scaling , kinetic energy , substrate (aquarium) , materials science , chemistry , nanotechnology , metal particle , chemical engineering , chemical physics , physics , organic chemistry , geology , statistics , mathematics , oceanography , geometry , quantum mechanics , engineering
Heterogeneous catalysts are often designed as metal nanoparticles supported on oxide surfaces. Here, the relation between particle morphology and reaction kinetics is investigated by scaling relation kinetic Monte Carlo simulations using CO oxidation over Pt nanoparticles as a model reaction. We find that different particle morphologies result in vastly different catalytic activities. The activity is strongly affected by kinetic couplings between sites, and a wide site distribution generally enhances the activity. The present study highlights the role of site‐assemblies as a concept that, in addition to isolated active sites, can be used to understand catalytic reactions over nanoparticles.