Search results for "Catalytic function"

Decision letter: Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family

2020

Oxidation of magnesia-supported Pd-clusters leads to the ultimate limit of epitaxy with a catalytic function

2005

Oxide-supported transition-metal clusters and nanoparticles have attracted significant attention owing to their important role as components of model catalysts, sensors, solar cells and magnetic recording devices. For small clusters, functionality and structure are closely interrelated. However, knowledge of the structure of the bare cluster is insufficient as the interaction with the chemical environment might cause drastic structural changes. Here we show by ab initio simulations based on the density functional theory that the reaction with molecular oxygen transforms small, non-crystalline, magnesia-supported Pd-clusters to crystalline Pd(x)O(y) nano-oxide clusters that are in epitaxy wi…