Chemical Activity of Palladium Clusters:  Sorption of Hydrogen

Huang, Sheng-Yang; Huang, Chih‐Ting; Chang, B. C.; Yeh, C.L.

doi:10.1021/jp063321r

Cited by 41 publications

(47 citation statements)

References 29 publications

(34 reference statements)

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“…Both the experiment and theoretical calculations showed that hydrogenation of alkenes would occur smoothly on both Pd(111) and Pd(100) [30]. In addition, it has also been reported that ΔE 2H decreased with the size decrease of Pd nanoparticles [31][32][33]. In order to calculate the dissociation adsorption energy of H 2 on different Pd clusters, here, we constructed a set of Pd n with size varying from Pd 2 to Pd 147 .…”

Section: Resultsmentioning

confidence: 99%

Carbon Monoxide Promotes the Catalytic Hydrogenation on Metal Cluster Catalysts

et al. 2020

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Size effect plays a crucial role in catalytic hydrogenation. The highly dispersed ultrasmall clusters with a limited number of metal atoms are one candidate of the next generation catalysts that bridge the single-atom metal catalysts and metal nanoparticles. However, for the unfavorable electronic property and their interaction with the substrates, they usually exhibit sluggish activity. Taking advantage of the small size, their catalytic property would be mediated by surface binding species. The combination of metal cluster coordination chemistry brings new opportunity. CO poisoning is notorious for Pt group metal catalysts as the strong adsorption of CO would block the active centers. In this work, we will demonstrate that CO could serve as a promoter for the catalytic hydrogenation when ultrasmall Pd clusters are employed. By means of DFT calculations, we show that Pdn n=2‐147 clusters display sluggish activity for hydrogenation due to the too strong binding of hydrogen atom and reaction intermediates thereon, whereas introducing CO would reduce the binding energies of vicinal sites, thus enhancing the hydrogenation reaction. Experimentally, supported Pd2CO catalysts are fabricated by depositing preestablished [Pd2(μ-CO)2Cl4]2- clusters on oxides and demonstrated as an outstanding catalyst for the hydrogenation of styrene. The promoting effect of CO is further verified experimentally by removing and reintroducing a proper amount of CO on the Pd cluster catalysts.

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Section: Resultsmentioning

confidence: 99%

Carbon Monoxide Promotes the Catalytic Hydrogenation on Metal Cluster Catalysts

et al. 2020

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“…The sorption extent and rate depend on the metal cluster size and metal oxidation state. [62][63][64][65][66][67] For these reasons the H L 2 /Pd initial value is an important parameter that affects the sorption phenomena.…”

Section: H Lmentioning

confidence: 99%

The influence of catalyst amount and Pd loading on the H₂O₂synthesis from hydrogen and oxygen

Gemo

Sterchele

Biasi

et al. 2015

Catal. Sci. Technol.

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Palladium catalysts with an active metal content from 0.3 to 5.0 wt.% and supported on a strongly acidic, macroporous resin were prepared by ion-exchange/reduction method. H2O2 direct synthesis was carried out in the absence of promoters (acids and halides). The total Pd amount in the reacting environment was varied by changing A) the catalyst concentration in the slurry and B) the Pd content of the catalyst. In both cases, smaller amounts of the active metal enhance the selectivity towards H2O2, at any H2 conversion, with option B) better than A). In case A), the Pd(II)/Pd(0) molar ratio (XPS) in the spent catalysts was found to decrease at lower catalyst Pd content. With these catalysts and this experimental set-up the dynamic HL2/Pd molar ratio, the metal loading and the metal particle size were the key factors controlling the selectivity, which reached 57% at 60% H2 conversion, and 80% at lower conversion

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“…Accordingly, a new experimental system has been developed to investigate the proton irradiation of mass-selected protonated water clusters. Many different techniques have been used successfully to generate ensembles of water cluster ions including electrospray ionization 6,7 , electron impact ionization 8 , corona discharge ionization 8 , chemical ionization 9 and electrospray droplet impact 10,11 . The novelty of the present experimental system lies in the acceleration (up to 10 kV) and massselection of molecular and cluster ions of water prior to 0.9-2.5 a.u.…”

Section: Introductionmentioning

confidence: 99%

Microscopic studies of atom–water collisions

Wang

Dinh

Reinhard

et al. 2009

International Journal of Mass Spectrometry

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The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms, ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex reaction mechanisms, we have initiated a joint experimental and theoretical investigation with the aim to make direct comparisons between experimental and theoretical results. As a first step, studies of collisions of a water molecule with a neutral projectile (C atom) at high velocities (≥ 0.1 a.u.), and with a charged projectile (proton) at low velocities (≤ 0.1 a.u.) have been studied within the microscopic framework. In particular, time-dependent density functional theory (TDDFT) was applied to the valence electrons and coupled non-adiabatically to molecular dynamics (MD) for ionic cores. Complementary experimental developments have been carried out to study projectile interactions with accelerated (≤ 10 keV) and mass-selected cluster ions. The first size distributions of protonated water cluster ions H + (H2O)n(n = 2 − 39) produced using this new apparatus are presented.PACS numbers:

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Chemical Activity of Palladium Clusters: Sorption of Hydrogen

Cited by 41 publications

References 29 publications

Carbon Monoxide Promotes the Catalytic Hydrogenation on Metal Cluster Catalysts

Carbon Monoxide Promotes the Catalytic Hydrogenation on Metal Cluster Catalysts

The influence of catalyst amount and Pd loading on the H₂O₂synthesis from hydrogen and oxygen

Microscopic studies of atom–water collisions

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Chemical Activity of Palladium Clusters: Sorption of Hydrogen

Cited by 41 publications

References 29 publications

Carbon Monoxide Promotes the Catalytic Hydrogenation on Metal Cluster Catalysts

Carbon Monoxide Promotes the Catalytic Hydrogenation on Metal Cluster Catalysts

The influence of catalyst amount and Pd loading on the H2O2synthesis from hydrogen and oxygen

Microscopic studies of atom–water collisions

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Product

Resources

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The influence of catalyst amount and Pd loading on the H₂O₂synthesis from hydrogen and oxygen