Adsorbate Pairing on Oxide Surfaces: Influence on Reactivity and Dependence on Oxide, Adsorbate Pair, and Density Functional
Journal article, 2017
Dissociation
Chemistry
Initio Molecular-Dynamics
Total-Energy Calculations
Reaction
Wave Basis-Set
Gas Shift
Catalysis
Transition
Nox Adsorption
Metal-Oxides
Author
Maxime van den Bossche
Competence Centre for Catalysis (KCK)
Chalmers, Physics, Chemical Physics
Henrik Grönbeck
Competence Centre for Catalysis (KCK)
Chalmers, Physics, Chemical Physics
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 121 15 8390-8398Subject Categories
Physical Chemistry
Materials Chemistry
DOI
10.1021/acs.jpcc.6b12789