ListarINAM_Articles por tema "heterogeneous catalysis"
Mostrando ítems 1-5 de 5
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Catalysis Meets Spintronics; Spin Potentials Associated with Open-Shell Orbital Configurations Enhance the Activity of Pt3Co Nanostructures for Oxygen Reduction: A Density Functional Theory Study
American Chemical Society (2020)One of the main obstacles in the implementation of hydrogen fuel cells (HFC) lies in the efficiency loss due to the overpotential of the oxygen reduction reaction (ORR). Nowadays, the best catalysts for cathodes in HFC are ... -
Ligand effects in the stabilization of gold nanoparticles anchored on the surface of graphene: Implications in catalysis
Elsevier (2021-01-02)Gold nanoparticles (Au NPs) functionalized with N-heterocyclic carbene (NHC) ligands immobilized ontographene are obtained via spontaneous decomposition of well-defined gold-NHC complexes by reducedgraphene oxide (rGO) ... -
One-pot growth of metal-organic frameworks on polymers for catalytic performance enhancement in the CO2 cycloaddition to epoxides
Elsevier (2023-12-05)A novel approach is reported to prepare 3D-printed polymers that incorporate metal-organic frameworks (MOFs) through a one-pot growth process, involving covalent grafting and growth onto 3D polymeric surfaces. The resulting ... -
Recent Developments in the Modelling of Heterogeneous Catalysts for CO2 Conversion to Chemicals
Wiley-VCH Verlag (2020-04-06)Density functional theory (DFT) of the CO2 behavior on the catalyst surface provides valuable insights about the C=O bond activation, information about adsorption and dissociation of CO2, understanding the elementary steps ... -
Reduced Graphene Oxides as Carbocatalysts in Acceptorless Dehydrogenation of N-Heterocycles
American Chemical Society (2021-11-22)The catalytic properties of graphene-derived materials are evaluated in acceptorless dehydrogenation of N-heterocycles. Among them, reduced graphene oxides (rGOs) are active (quantitative yields in 23 h) under mild conditions ...