FTIR study of the CO adsorption over Pt/MFI catalysts: Ab initio interpretation

Nesterenko, N. S.; Avdey, A. V.; Ermilov, A. Yu.

doi:10.1002/qua.20997

Cited by 10 publications

(1 citation statement)

References 22 publications

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“…Band positions below 1950 cm −1 were considered as bridged bound CO, while linear bound CO is that between 2100 cm −1 and 1950 cm −1 [40]. A sensitivity ratio of 0.8 for bridged CO with respect to linear bond CO was assumed based on previous DFT simulations [41]. The average noble metal dispersion (%) was calculated from the specific CO uptake mol CO /mol metal multiplied with the corresponding average stoichiometric factor (SF) determined by DRIFTS.…”

Section: Methodsmentioning

confidence: 99%

Mono- and bimetallic Rh and Pt NSR-catalysts prepared by controlled deposition of noble metals on support or storage component

Büchel

Pratsinis

Baiker

2012

Applied Catalysis B: Environmental

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Mono- and bimetallic Rh and Pt based NO storage-reduction (NSR) catalysts, where the noble metals were deposited on the AlO support or BaCO storage component, have been prepared using a twin flame spray pyrolysis setup. The catalysts were characterized by nitrogen adsorption, CO chemisorption combined with diffuse reflectance infrared Fourier transform spectroscopy, X-ray diffraction, and scanning transmission electron microscopy combined with energy dispersive X-ray spectroscopy. The NSR performance of the catalysts was investigated by fuel lean/rich cycling in the absence and presence of SO (25 ppm) as well as after H desulfation at 750 °C. The performance increased when Rh was located on BaCO enabling good catalyst regeneration during the fuel rich phase. Best performance was observed for bimetallic catalysts where the noble metals were separated, with Pt on AlO and Rh on BaCO. The Rh-containing catalysts generally showed much higher tolerance to SO during fuel rich conditions and lost only little activity during thermal aging at 750 °C.

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Section: Methodsmentioning

confidence: 99%

Mono- and bimetallic Rh and Pt NSR-catalysts prepared by controlled deposition of noble metals on support or storage component

Büchel

Pratsinis

Baiker

2012

Applied Catalysis B: Environmental

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Density functional theory study of p‐chloroaniline adsorption on Pd surfaces and clusters

Lyu

Zhou

et al. 2014

Int J of Quantum Chemistry

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The adsorption mode of aromatic molecules on transition metal surfaces plays a key role in their catalytic transformation. In this study, by means of density functional theory calculations, we systematically investigate the adsorption of p‐chloroaniline on a series of Pd surfaces, including stepped surfaces, flat surfaces, and clusters. The adsorption energies of p‐chloroaniline on these substrates [Pd(221), Pd(211), Pd(111), Pd(100), Pd13‐icosahedral, Pd13‐cubo‐octahedron, Pd55] are −1.90, −2.13, −1.70, −2.11, −2.53, −2.65, −2.23 eV, respectively. Benzene ring is adsorpted on catalyst rather than amine group in p‐chloroaniline molecular. A very good linear relationship is further found between the adsorption energies of p‐chloroaniline and the d‐band center of both Pd surfaces and clusters. The lower of d‐band center of Pd models, the stronger adsorption of p‐chloroaniline on catalysts. In addition, the frontier molecular orbital and density of states analysis explain the adsorption energy sequence: cluster Pd13 > stepped Pd(221) surface > flat Pd(111) surface. © 2014 Wiley Periodicals, Inc.

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Pt/ITQ-6 zeolite as a bifunctional catalyst for hydrocracking of waste plastics containing polystyrene

Fuentes-Ordóñez

Salbidegoitia

González-Marcos

et al. 2014

J Mater Cycles Waste Manag

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FTIR study of the CO adsorption over Pt/MFI catalysts: Ab initio interpretation

Cited by 10 publications

References 22 publications

Mono- and bimetallic Rh and Pt NSR-catalysts prepared by controlled deposition of noble metals on support or storage component

Mono- and bimetallic Rh and Pt NSR-catalysts prepared by controlled deposition of noble metals on support or storage component

Density functional theory study of p‐chloroaniline adsorption on Pd surfaces and clusters

Pt/ITQ-6 zeolite as a bifunctional catalyst for hydrocracking of waste plastics containing polystyrene

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