Application of 206996-60-3, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 206996-60-3, Name is Cerium(III) acetate xhydrate, SMILES is CC(O[Ce](OC(C)=O)OC(C)=O)=O.[H]O[H], belongs to catalyst-ligand compound. In a article, author is Clausen, Christian M., introduce new discover of the category.
What Atomic Positions Determines Reactivity of a Surface? Long-Range, Directional Ligand Effects in Metallic Alloys
Ligand and strain effects can tune the adsorption energy of key reaction intermediates on a catalyst surface to speed up rate-limiting steps of the reaction. As novel fields like high-entropy alloys emerge, understanding these effects on the atomic structure level is paramount: What atoms near the binding site determine the reactivity of the alloy surface? By statistical analysis of 2000 density functional theory calculations and subsequent host/guest calculations, it is shown that three atomic positions in the third layer of an fcc(111) metallic structure fourth-nearest to the adsorption site display significantly increased influence on reactivity over any second or third nearest atomic positions. Subsequently observed in multiple facets and host metals, the effect cannot be explained simply through the d-band model or a valence configuration model but rather by favorable directions of interaction determined by lattice geometry and the valence difference between host and guest elements. These results advance the general understanding of how the electronic interaction of different elements affect adsorbate-surface interactions and will contribute to design principles for rational catalyst discovery of better, more stable and energy efficient catalysts to be employed in energy conversion, fuel cell technologies, and industrial processes.
Application of 206996-60-3, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 206996-60-3.
Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI