A DFT+U Investigation on Methylamine Decomposition Catalyzed by Pt 4 Cluster Supported on Oxygen Defective Rutile (110) TiO 2
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DOI: 10.1007/s40242-017-6489-z
Abstract: The adsorption and decomposition mechanisms of methylamine catalyzed by Pt4 cluster supported on rutile(110) titania[namely, Pt4/TiO2-R(110)] were investigated via density functional theory slab calculations with Hubbard corrections(DFT+U). The adsorption energies under the most stable configuration… read more here.
Keywords: rutile 110; methylamine decomposition; decomposition; cluster supported ... See more keywords
Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2
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DOI: 10.1039/d2sc02552c
Abstract: Ligand exchange reactions of [Rh(COD){η4-Ge9(Hyp)3}] with L-type nucleophiles such as PMe3, PPh3, IMe4 (IMe4 = 1,3,4,5-tetramethylimidazol-2-ylidene) or [W(Cp)2H2] result in the displacement of the COD ligand to afford clusters with coordinatively unsaturated trigonal pyramidal rhodium(i)… read more here.
Keywords: supported low; exchange; zintl cluster; cluster supported ... See more keywords