First-Principles Microkinetic Modeling of Methane Oxidation over Pd(100) and Pd(111)
Journal article, 2016
methane oxidation
heterogeneous catalysis
Pd(111)
Pd(100)
palladium
microkinetic modeling
DFT
Author
Mikkel Jørgensen
Competence Centre for Catalysis (KCK)
Chalmers, Physics, Chemical Physics
Henrik Grönbeck
Competence Centre for Catalysis (KCK)
Chalmers, Physics, Chemical Physics
ACS Catalysis
21555435 (eISSN)
Vol. 6 10 6730-6738Areas 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.6b01752