Scaling Relations and Kinetic Monte Carlo Simulations To Bridge the Materials Gap in Heterogeneous Catalysis
Journal article, 2017
platinum nanoparticles
microkinetic modeling
density functional theory
kinetic Monte Carlo
CO oxidation
generalized coordination number
scaling relation
Author
Mikkel Jørgensen
Competence Centre for Catalysis (KCK)
Chalmers, Physics, Chemical Physics
Henrik Grönbeck
Chalmers, Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
ACS Catalysis
21555435 (eISSN)
Vol. 7 8 5054-5061Areas of Advance
Nanoscience and Nanotechnology
Subject Categories
Physical Chemistry
Other Physics Topics
Theoretical Chemistry
Condensed Matter Physics
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1021/acscatal.7b01194