This atomic-scale doping is different from the emerging single-atom catalyst concept, in which the single atom on the support is the active site, and which provides an alternative methodology of improving the activity of heterogeneous catalysts with maximized heteroatom efficiency.

Nov 5, 2024 · Activating the Mn Single Atomic Center for an Efficient Actual Active Site of the Oxygen Reduction Reaction by Spin-State Regulation. The ligand engineering for single-atom catalysts (SACs) is considered a cutting-edge strategy to tailor their electrocatalytic activity.

May 8, 2024 · Based on the radial frequency distribution of metal elements and the distribution of Δ GH, we have identified the surface and subsurface sites occupied by Pt and Ru, respectively, as the most active sites.

Jan 6, 2022 · To define an active site in heterogeneous catalysis is to understand these complexities and its dynamic variability in various reaction environments, be they liquid phase or gas phase, and...

Schematic view of the ACS active site. A dinuclear nickel complex with methyl and thiolate ligands, Ni (dadt (Et))Ni (Me) (SDmp) (2), has been synthesized as a dinuclear Ni (d)-Ni (p)-site...

Jun 23, 2021 · Our results highlight the power of machine-learning-based reaction exploration for resolving the complex reaction network and also point the direction to reveal the true active site of Ag-based catalyst in ethene oxidation.

Aug 18, 2004 · Two forms of the ACS active site observed in the crystal structure of Fontecilla-Camps and co-workers.4 In panel A, the Mp site is occupied by a square-planar Ni(II) ion (“open” conformation), while in panel B, a tetrahedral Zn(II) ion resides in …

Oct 23, 2013 · Release of halide ions is an essential step of the catalytic cycle of haloalkane dehalogenases. Here we describe experimentally and computationally the process of release of a halide anion from the buried active site of the haloalkane dehalogenase LinB.

Aug 1, 2024 · The key enzyme in the WLP is acetyl-CoA synthase (ACS), which uses an active site [2Ni-4Fe-4S] cluster (A-cluster), a CO tunnel, and an organometallic (Ni-CO, Ni-methyl, and Ni-acetyl) reaction sequence to generate acetyl-CoA.

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