Fundamental aspects of catalysis on supported metal clusters

A review; we examine the role of oxide support defects, cluster size-dependence, cluster structural fluxionality, and impurity doping on the catalytic properties of size-selected metal clusters on surfaces. By combining exptl. results from the oxidn. of CO on size-selected gold clusters with ab-initio calcns., a detailed picture emerges of the electronic and structural dynamics of this process. For Au8, Au4, and Au3Sr clusters on F-center defects on MgO(100), optimized at. structures and local d. of states calcns. support the exptl. results for the oxidn. of CO. Fundamental aspects such as charge transfer from oxide defect sites and the adsorption and activation of reactant mols. are elucidated. Using a pulsed mol. beam set up, turnover frequencies for the oxidn. of CO and the redn. of NO on Pd clusters were detd. This new exptl. scheme allows for the detn. of mechanistic details of much greater sophistication than with one-cycle expts. Isolating known catalytic phenomena such as spillover, reverse spillover, and adlineation should be attainable at the at. level using these pulsed mol. beam expts. on size-selected metal clusters on surfaces. [on SciFinder(R)]     «

A review; we examine the role of oxide support defects, cluster size-dependence, cluster structural fluxionality, and impurity doping on the catalytic properties of size-selected metal clusters on surfaces. By combining exptl. results from the oxidn. of CO on size-selected gold clusters with ab-initio calcns., a detailed picture emerges of the electronic and structural dynamics of this process. For Au8, Au4, and Au3Sr clusters on F-center defects on MgO(100), optimized at. structures and local...     »

Ab initio methods Adsorption Catalysis Catalysts Crystal defects Density of states Doping Electron transfer Electronic structure Fluxional rearrangement Molecular beams Reaction mechanism Surface reaction Surface structure (fundamental aspects of catalysis on supported metal clusters) Oxides Role: CAT (Catalyst use), PRP (Properties), USES (Uses) (fundamental aspects of catalysis on supported metal clusters) Clusters (metal fundamental aspects of catalysis on supported metal clusters) review fundamental aspect catalysis supported metal cluster     «

Ab initio methods Adsorption Catalysis Catalysts Crystal defects Density of states Doping Electron transfer Electronic structure Fluxional rearrangement Molecular beams Reaction mechanism Surface reaction Surface structure (fundamental aspects of catalysis on supported metal clusters) Oxides Role: CAT (Catalyst use), PRP (Properties), USES (Uses) (fundamental aspects of catalysis on supported metal clusters) Clusters (metal fundamental aspects of catalysis on supported metal clusters) review fun...     »