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Combined quantitative FTIR and online GC study of Fischer-Tropsch synthesis involving co-fed ethylene
10.1016/j.jcat.2018.03.026 2018-04-06 Combined quantitative in-situ FTIR and online gas chromatography have been applied to assess the effect of co-feeding ethylene on the length and nature of the hydrocarbon species formed on cobalt catalysts and the detected reaction products during Fischer-Tro... |
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Ethylene versus ethane: A DFT-based selectivity descriptor for efficient catalyst screening
10.1016/j.jcat.2018.03.019 2018-04-06 The production of ethylene without its hydrogenation to ethane is a challenge for several catalytic processes. Here, we present a catalyst screening scheme, where the Gibbs free energy difference between the ethylene hydrogenation barrier and ethylene desorpt... |
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Mechanistic insight into cobalt-catalyzed stereodivergent semihydrogenation of alkynes: The story of selectivity control &z.star;
10.1016/j.jcat.2018.03.016 2018-04-06 Selectivity control is a challenging and important subject in semihydrogenation of alkynes. Here, a combined theoretical and experimental study was performed to reveal the origin of the chemo- and stereoselectivity in cobalt-catalyzed stereodivergent semihydr... |
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Principles determining the activity of magnetic oxides for electron transfer reactions
10.1016/j.jcat.2018.03.012 2018-03-30 Electrons in covalent oxides are fermions interacting through overlapping atomic orbitals, and quantum exchange interactions incorporate influential spin-dependent potentials in their electrocatalytic properties. The Goodenough-Kanamori rules explain the magn... |
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Synthesis and characterization of Ag@Carbon core-shell spheres as a novel catalyst for room temperature N-arylation reaction
10.1016/j.jcat.2018.02.029 2018-03-30 The Ag@Carbon core-shell spheres were synthesized using a green, cheap, and easy process. The products were characterized by XRD, FESEM, TEM, MAP, EDX, Raman, and FT-IR analysis. The synthesis of a novel class of trichloro-1-nitroprop-1-en-2-amine via our Ag@... |
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Mechanistic investigations into the cyclopropanation of electron-deficient alkenes with ethyl diazoacetate using [Co(MeTAA)] ☆
10.1016/j.jcat.2018.02.013 2018-03-30 A detailed mechanistic study of the cyclopropanation of electron-deficient alkenes, namely methyl acrylate with ethyl diazoacetate (EDA), was carried out, aiming at understanding both the superior activity and the higher sensitivity of the cobalt(II) tetramet... |
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First-principles calculation of activity and selectivity of the partial oxidation of ethylene glycol on Fe(0 0 1), Co(0 0 0 1), and Ni(1 1 1)
10.1016/j.jcat.2018.03.017 2018-03-30 To recycle ethylene glycol (HOCH2CH2OH) fuel in alkaline fuel cells, active and selective catalysts for partially oxidizing HOCH2CH2OH to glycolic acid (HOCH2COOH) and oxalic acid ((COOH)2) are required at the anode; in other words, complete oxidation of HOCH... |
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Aldol condensation among acetaldehyde and ethanol reactants on TiO2: Experimental evidence for the kinetically relevant nucleophilic attack of enolates
10.1016/j.jcat.2018.02.030 2018-03-29 Combinations of rate measurements as functions of reactant pressures, in situ infrared spectroscopy, comparisons of kinetic isotope effects, and rate inhibition effects provide experimental evidence that aldol condensation of acetaldehyde proceeds by kinetica... |
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PdSn/NiO/NaTaO3:La for photocatalytic ammonia synthesis by reduction of NO3− with formic acid in aqueous solution
10.1016/j.jcat.2018.03.013 2018-03-29 Photocatalytic ammonia synthesis is of great importance but remains very challenging in photocatalysis. Here, we fabricated a photocatalytic reaction system for the efficiently photocatalytic nitrate reduction to ammonia under UV irradiation using PdSn/NiO/Na... |
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Mechanism and microkinetics of methanol synthesis via CO2 hydrogenation on indium oxide
10.1016/j.jcat.2018.03.014 2018-03-29 Indium oxide has emerged as a highly effective catalyst for methanol synthesis by direct CO2 hydrogenation. Aiming at gathering a deeper fundamental understanding, mechanistic and (micro)kinetic aspects of this catalytic system were investigated. Steady-state... |