Selective acetylene hydrogenation over single metal atoms supported on Fe3O4(001): A first-principle study
نویسندگان
چکیده
منابع مشابه
A DFT + U study of acetylene selective hydrogenation over anatase supported PdaAgb (a + b = 4) cluster.
It is well known that the addition of Ag into Pd can promote the selectivity of acetylene hydrogenation to ethylene, and early theoretical studies focus on ideal single crystal model catalysts, so it is worth studying relatively realistic catalyst models, such as metal oxide supported PdAg systems. In this work, the reaction mechanisms for acetylene selective hydrogenation on the anatase TiO2(1...
متن کاملSelective Hydrogenation of Acetylene over Palladium in Ultra High Vacuum
Under ultra-high-vacuum conditions, precoverage of a palladium(ll1) surface with hydrogen does not affect either the kinetics or the extent of acetylene uptake at 175 K. The subsequent reactive behavior of the system is however radically altered. Benzene formation is strongly suppressed, the transformation of adsorbed acetylene to another species (@-phase) is enhanced, and the yield of ethylene...
متن کاملImproved selectivity by stabilizing and exposing active phases on supported Pd nanoparticles in acetylene-selective hydrogenation.
Palladium dynamics: Under hydrogenation conditions, saturating over-active palladium by carbon diffusion leads to a stable and selective particle surface. By choosing supports with suitable geometric structures and establishing a strong interaction between supports and metal particles, accumulated species can be regularly rearranged and reaction-selective phases can be exposed (see figure).
متن کاملGas phase selective hydrogenation over oxide supported Ni-Au.
The chemoselective continuous gas phase (T = 573 K; P = 1 atm) hydrogenation of nitroarenes (p-chloronitrobenzene (p-CNB) and m-dinitrobenzene (m-DNB)) has been investigated over a series of oxide (Al2O3 and TiO2) supported Au and Ni-Au (1 : 10 mol ratio; 0.1-1 mol% Au) catalysts. Monometallic supported Au with mean particle size 3-9 nm promoted exclusive formation of p-chloroaniline (p-CAN) an...
متن کاملHigh-performance supported catalysts with an ionic liquid layer for the selective hydrogenation of acetylene.
Pd-Ag shell catalysts impregnated with two different ionic liquids show considerable improvements both in ethylene selectivity and reduced ethane formation in the selective hydrogenation of acetylene under tail-end conditions.
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5142748