Effect of nanostructuring on the interaction of CO<sub>2</sub>with molybdenum carbide nanoparticles
Carlos Jimenez‐Orozco, Marc Figueras, Elizabeth Flórez, Francesc Viñes, José A. Rodríguez, Francesc Illas
Abstract
Insights of the CO 2 activation and dissociation on MoC y clusters and nanoparticles are gained by first-principles calculations as a function of size and composition.
Topics & Concepts
CarbideCatalysisMolybdenumNanoparticleStoichiometryMaterials scienceNanotechnologyTransition metalOxygenateChemical engineeringChemistryOrganic chemistryMetallurgyEngineeringCarbon dioxide utilization in catalysisCatalysis and Hydrodesulfurization StudiesCatalysts for Methane Reforming