Molecular factors of catalytic selectivity.

摘要: Selectivity, that is, to produce one molecule out of many other thermodynamically feasible product molecules, is the key concept develop 'clean manufacturing' processes do not byproducts (green chemistry). Small differences in potential energy barriers for elementary reaction steps control which channel more likely yield desired (selectivity), instead overall activation controls turnover rates (activity). Recent studies have demonstrated atomic- or molecular-level tailoring parameters such as surface structures active sites give rise nanoparticle size and shape dependence selectivities. Here, we highlight seven molecular components influence These include: structure, adsorbate-induced restructuring, adsorbate mobility, intermediates, composition, charge transport, oxidation states model metal single crystal colloid catalysts. We show examples their functioning describe in-situ instruments permit us investigate roles reactions.