What Changes on the Inverse Catalyst? Insight From CO Oxidation on Au-Supported Ceria Nanoparticles Using Ab Initio Molecular Dynamics

Oxidation reactions catalyzed by Au nanoparticles supported on reducible oxides have been widely studied both experimentally and theoretically, whereas <i>inverse catalysts</i>, in which oxide nanoparticles are supported on metal surfaces, received considerably less attention. In both systems catalytic activity at metal – oxide interfaces can arise not only from each material contributing its functionality, but also from their interactions creating properties beyond the sum of individual components. Inverse catalysts may retain the synergy between the metal and oxide functionalities, while offering further specific advantages, e.g. a possibility to have better control over interfacial sites or to yield improved stability, activity, and selectivity. Our work provides the mechanism of O atom/vacancy diffusion-assisted Mars-van-Krevelen CO oxidation on gold-supported ceria nanoparticle through state-of-the-art ab initio molecular dynamic simulation studies.

What Changes on the Inverse Catalyst? Insight From CO Oxidation on Au-Supported Ceria Nanoparticles Using Ab Initio Molecular Dynamics

Oxidation reactions catalyzed by Au nanoparticles supported on reducible oxides have been widely studied both experimentally and theoretically, whereas <i>inverse catalysts</i>, in which oxide nanoparticles are supported on metal surfaces, received considerably less attention. In both systems catalytic activity at metal – oxide interfaces can arise not only from each material contributing its functionality, but also from their interactions creating properties beyond the sum of individual components. Inverse catalysts may retain the synergy between the metal and oxide functionalities, while offering further specific advantages, e.g. a possibility to have better control over interfacial sites or to yield improved stability, activity, and selectivity. Our work provides the mechanism of O atom/vacancy diffusion-assisted Mars-van-Krevelen CO oxidation on gold-supported ceria nanoparticle through state-of-the-art ab initio molecular dynamic simulation studies.

Nanoporous gold functionalized with praseodymia–titania mixed oxides as a stable catalyst for the water–gas shift reaction

Dealloyed nanoporous metals hold great promise in the field of heterogeneous catalysis. In our work, we succeeded to prepare a stable and very active inverse catalyst for the water gas shift reaction by depositing Pr1Ti2Ox on nanoporous gold.

The surface plasmon-induced hot carrier effect on the catalytic activity of CO oxidation on a Cu2O/hexoctahedral Au inverse catalyst

The catalytic activity was enhanced when energetic electrons, generated from photon absorption on the HOH Au metal, were transferred to the reactive Cu2O.

Surface plasmon-driven catalytic reactions on a patterned Co3O4/Au inverse catalyst

Hot carriers generated from LSPR excitation of Au can transfer to Co3O4, thus enhancing the catalytic activity for CO oxidation.

CeO2 decorated CuO hierarchical composites as inverse catalyst for enhanced CO oxidation

CeO2 decorated CuO hierarchical composites were prepared and was used as inverse catalyst for enhanced CO oxidation.