Structure Sensitivity of CO<sub>2</sub> Conversion over Nickel Metal Nanoparticles Explained by Micro-Kinetics Simulations
Ellen B. Sterk, Anne‐Eva Nieuwelink, Matteo Monai, Jaap N. Louwen, Eelco T. C. Vogt, Ivo A. W. Filot, Bert M. Weckhuysen
Abstract
* and O* is the most critical elementary reaction step on this Ni(110) facet. The calculated activity of a range of Wulff-constructed nickel metal nanoparticles, accounting for varying ratios of the different facets and undercoordinated atoms exposed, reveals the same trend of activity-versus-nanoparticle size, as was observed in previous experimental work from our research group, thereby providing an explanation for the structure-sensitive nature of the Sabatier reaction.
Topics & Concepts
MethanationNickelCatalysisMaterials scienceNanoparticleMetalDissociation (chemistry)Elementary reactionChemical engineeringTransition metalKineticsInorganic chemistryChemistryPhysical chemistryNanotechnologyMetallurgyOrganic chemistryQuantum mechanicsPhysicsEngineeringCatalysts for Methane ReformingCarbon dioxide utilization in catalysisCatalytic Processes in Materials Science