Synthesis of Ni/SiO2 nanoparticles for catalytic benzene hydrogenation

Chettibi, Moussa; Boudjahem, Abdel-Ghani; Bettahar, M.M.

doi:10.1007/s11243-010-9449-8

Cited by 34 publications

(16 citation statements)

References 36 publications

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“…Therefore, these clusters are used as advanced materials for electronic, optic, magnetic, heterogeneous catalysis and nanotechnology [5][6][7][8][9][10][11].…”

Section: Introductionmentioning

confidence: 99%

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Geometries, stabilities, electronic and magnetic properties of small Pd_nIr (n = 1–8) clusters from first-principles calculations

2013

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The geometrical structures, relative stabilities, electronic and magnetic properties of small Pd n Ir (n = 1-8) clusters have been systematically investigated using density functional theory at the B3PW91 level. The optimised geometries show that the lowest-energy structures of Pd n Ir clusters prefer a three-dimensional configuration. The relative stability of these clusters was examined by analysis of the binding energies per atom, fragmentation energies, the second-order difference of energies and the HOMO-LUMO energy gaps as a function of cluster size. The obtained results exhibit that the Pd 2 Ir, Pd 3 Ir and Pd 5 Ir clusters are more stable than their neighbouring clusters. The energy gap of the Pd 2 Ir cluster is the largest of all the clusters (2.258 eV). In addition, the charge transfers, vertical ionisation potentials, vertical electron affinities and chemical hardness were calculated and discussed. The magnetism calculations indicate that the total magnetic moment of Pd n Ir clusters is mainly localised on the iridium atom for Pd 1-6 Ir clusters. Meanwhile, the 5d orbital plays the key role in the magnetic moment of the iridium atom.

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“…Therefore, these clusters are used as advanced materials for electronic, optic, magnetic, heterogeneous catalysis and nanotechnology [5][6][7][8][9][10][11].…”

Section: Introductionmentioning

confidence: 99%

“…In recent years, a great number of experimental and theoretical works about pure and doped transition metal clusters were performed [10][11][12][13][14][15][16][17][18][19][20][21][22][23][24]. The transition metal clusters doped with other metal can strongly change the chemical and physical properties of the host clusters [12,13].…”

Section: Introductionmentioning

confidence: 99%

Geometries, stabilities, electronic and magnetic properties of small Pd_nIr (n = 1–8) clusters from first-principles calculations

2013

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“…27,42 The TPD profile for Ba-Pd/SiO 2 ( Fig. 4(II)) also showed two desorption peaks with a greater (by a factor of 5) amount of H 2 desorbed compared with Pd/SiO 2 ( Table 1).…”

Section: Thermodynamic Analysismentioning

confidence: 94%

Production of Butylamine in the Gas Phase Hydrogenation of Butyronitrile over Pd/SiO₂ and Ba-Pd/SiO₂

Hao

Cárdenas‐Lizana

et al. 2015

Catalysis, Structure & Reactivity

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The gas phase (1 atm, 473 -563 K) hydrogenation of butyronitrile has been studied over Pd/SiO 2 and Ba -Pd/SiO 2 . Catalysts characterization involved temperature-programmed reduction (TPR), H 2 /NH 3 chemisorption/temperature programmed desorption (TPD), X-ray diffraction (XRD), and TEM measurements. The incorporation of Ba with Pd resulted in the formation of smaller metal nano-particles (7 vs 28 nm) with a resultant (seven-fold) higher H 2 chemisorption and decreased total surface acidity (from NH 3 chemisorption/TPD).Temperature-related activity maxima were observed for both catalysts and are associated with thermal desorption of the nitrile reactant. Exclusivity to the target butylamine was achieved at T $ 543 K where Ba -Pd/SiO 2 delivered higher selective hydrogenation rate (91 mol h 21 mol Pd 21) than Pd/SiO 2 (54 mol h 21 mol Pd 21 ), attributed to greater availability of surface-reactive hydrogen. Lower surface acidity served to minimize condensation to higher amines. The rate and selectivity to butylamine exceed those previously reported for gas phase operation.

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“…[1][2][3][4][5] They also have been successfully used for hydrogen storage. [1][2][3][4][5] They also have been successfully used for hydrogen storage.…”

Section: Introductionmentioning

confidence: 99%

“…[17][18][19] An alternative method to obtain supported catalysts with well-dened metal particles is the preparation of supported catalysts from metal colloids. 2,20,21 Many parameters determine their catalytic activity in hydrogenation process. The great advantage of the chemical method is that it could provide relatively monodispersed metal particles and minimize the effect of the support on the metallic active phase.…”

Section: Introductionmentioning

confidence: 99%

Benzene hydrogenation over alumina-supported nickel nanoparticles prepared by polyol method

2016

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A new catalyst composed of Ni nanoparticles supported on alumina for the hydrogenation of benzene was synthesized by the ethylene glycol reduction method, and characterized by XRD, TEM, EDX, H 2chemisorption, and H 2 -TPD. The catalytic performances of the obtained materials have been tested in the gas-phase hydrogenation of benzene. Metal particles with a size range 2-29 nm were obtained. The metal dispersion was found to be strongly influenced by the metal loading. It was found to decrease significantly with increasing Ni loading in the catalysts. The H 2 -TPD study showed that the Ni//Al 2 O 3 catalysts stored hydrogen with amounts changing with the nickel particle size. Further, the results show that the support may also actively participate in the hydrogen storage through the formation of Hspillover species. All catalysts have been found to be active and selective in the hydrogenation of benzene. The catalytic activity of these catalysts was dependent on the metal loading, particle size of the metal and the stored hydrogen in the catalyst. NiEG-05 catalyst was found to exhibit higher specific rate during the hydrogenation reaction than the other catalysts. This is attributed to the active nickel sites on the catalyst surfaces, which increase with the decrease of the metal loading.a Calculated from H 2 adsorption. b The average particle size was calculated from the XRD analysis.This journal is

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Synthesis of Ni/SiO2 nanoparticles for catalytic benzene hydrogenation

Cited by 34 publications

References 36 publications

Geometries, stabilities, electronic and magnetic properties of small Pd_nIr (n = 1–8) clusters from first-principles calculations

Geometries, stabilities, electronic and magnetic properties of small Pd_nIr (n = 1–8) clusters from first-principles calculations

Production of Butylamine in the Gas Phase Hydrogenation of Butyronitrile over Pd/SiO₂ and Ba-Pd/SiO₂

Benzene hydrogenation over alumina-supported nickel nanoparticles prepared by polyol method

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Synthesis of Ni/SiO2 nanoparticles for catalytic benzene hydrogenation

Cited by 34 publications

References 36 publications

Geometries, stabilities, electronic and magnetic properties of small PdnIr (n = 1–8) clusters from first-principles calculations

Geometries, stabilities, electronic and magnetic properties of small PdnIr (n = 1–8) clusters from first-principles calculations

Production of Butylamine in the Gas Phase Hydrogenation of Butyronitrile over Pd/SiO2 and Ba-Pd/SiO2

Benzene hydrogenation over alumina-supported nickel nanoparticles prepared by polyol method

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Geometries, stabilities, electronic and magnetic properties of small Pd_nIr (n = 1–8) clusters from first-principles calculations

Geometries, stabilities, electronic and magnetic properties of small Pd_nIr (n = 1–8) clusters from first-principles calculations

Production of Butylamine in the Gas Phase Hydrogenation of Butyronitrile over Pd/SiO₂ and Ba-Pd/SiO₂