Silica supported nanopalladium prepared by hydrazine reduction

Boudjahem, Abdel-Ghani; Mokrane, Tahar; Redjel, Affef; Bettahar, M.M.

doi:10.1016/j.crci.2010.06.022

Cited by 23 publications

(7 citation statements)

References 56 publications

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“…They exhibited good hydrogen reservoir as other transition metal materials, capable of adsorbing and storing large amounts of hydrogen [20][21][22]. For example, small palladium clusters supported on silica display a higher catalytic activity and better selectivity in benzene hydrogenation [19]. The amount of * Corresponding author.…”

Section: Introductionmentioning

confidence: 99%

“…Palladium clusters are significant catalysts for many chemical reactions, particularly in the reaction of hydrogenation and dehydrogenation [18,19]. They exhibited good hydrogen reservoir as other transition metal materials, capable of adsorbing and storing large amounts of hydrogen [20][21][22].…”

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%

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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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Section: Introductionmentioning

confidence: 99%

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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“…Small metal clusters dispersed over different supports have received great deal of interest in heterogeneous catalysis, due to their excellent catalytic properties in comparison with the bulk metal [1][2][3][4][5][6]. The reactivity of these nanocatalysts is largely in uenced by the method of preparation, cluster size, geometry and the metal composition [7][8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Adsorption of the guanine molecule over the pristine, Nb-, and Au-doped boron nitride nanosheets: a DFT study

Derdare

Boudjahem

2021

Struct Chem

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A theoretical study has been performed onto the pristine, Nb-and Au-doped boron nitride (BN) nanosheets using DFT calculations with the B3LYP-D3 method in order to evaluate their stabilities and electronic properties. The interaction of the guanine molecule with these clusters was also examined in aim to determine their adsorption properties. The calculations show that the HOMO-LUMO energy gap (E g ) of the BN nanosheet was strongly decreased upon its doping with Nb and Au atoms, implying a strong enhancement in its surface reactivity. The interaction of the guanine with the BN sheet was found to be weak, which leads a slight variation in its energy gap, therefore a low sensitivity of this nanosheet toward the guanine was observed. The guanine adsorption over the NbBN cluster is very strong, and the calculated adsorptions energies are in the range of -36.7 to -60.2 kcal mol -1 , suggesting a great chemical adsorption. For the AuBN cluster, the guanine molecule has been chemisorbed onto its surface with adsorption energies varying of -24.2 to -38.4 kcal mol -1 , which are lower than those obtained for the NbBN cluster. Upon adsorption proceess, the energy gap of the NbBN cluster was greatly increased, which leads to a decrease in its electric conductivity, thereby it cannot be a suitable sensor for the guanine molecule. On the contrary, the energy gap of the AuBN cluster was reduced by the effect of the guanine adsorption on its surface, indicating an increase in its electrical conductivity, thus the AuBN cluster possess a great electronic sensitivity to the guanine molecule. Based on the transition state theory, the recovery time of the guanine from the AuBN cluster was estimated of 27.6 s, re ecting that the Audoped BN nanosheet could be employed as an appropriate nanomaterial for the guanine molecule detection with a short recovery time.

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“…[7][8][9][10][11][12] Their reactivity was found to be strongly inuenced by the nature of the support, the preparation method, the nature of the metal precursors, metal dispersion, calcination and temperature of pre-treatment. 13,15 Also, effects of the preparation method on the morphology and surface properties have been observed. 13,15 Also, effects of the preparation method on the morphology and surface properties have been observed.…”

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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Silica supported nanopalladium prepared by hydrazine reduction

Cited by 23 publications

References 56 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

Adsorption of the guanine molecule over the pristine, Nb-, and Au-doped boron nitride nanosheets: a DFT study

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

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Silica supported nanopalladium prepared by hydrazine reduction

Cited by 23 publications

References 56 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

Adsorption of the guanine molecule over the pristine, Nb-, and Au-doped boron nitride nanosheets: a DFT study

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