Investigating the adsorption of nitrobenzene on M/Pd (1 1 1) bimetallic surface as an effective catalyst

Hajiahmadi, Zahra; Tavangar, Zahra

doi:10.1016/j.apsusc.2018.05.117

Cited by 11 publications

(8 citation statements)

References 46 publications

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“…Among the studied functionals, the vdW-DF-C09 functional predicted a stronger interaction between benzoic acid and the BP surface, which is in agreement with the results of previous work. 26,58 The lowest change in adsorption energy was obtained using the vdW-DF2-C09 functional, which predicts a binding energy (−0.599 eV) about four times higher compared to the PBE functional (−0.152 eV). The results show that in general, the vdW-DF functionals lead to a more negative adsorption energy than the vdW-DF2 functionals.…”

Section: Resultsmentioning

confidence: 98%

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Adsorption of aromatic molecules on a black phosphorene surface: a first-principles study

Mohammadi

Tavangar

2023

New J. Chem.

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Section: Resultsmentioning

confidence: 98%

“…Some of them are in high demand in industrial catalytic processes. [25][26][27] Also, some aromatic compounds such as benzene or toluene are considered effective pollutants. Therefore, the ability of different surfaces to detect or remove them from the environment has been investigated.…”

Section: Introductionmentioning

confidence: 99%

Adsorption of aromatic molecules on a black phosphorene surface: a first-principles study

Mohammadi

Tavangar

2023

New J. Chem.

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“…This fact indicated that the PDMS, PDA, and PEMs hardly adsorbed nitrobenzene, and the effect of the physical adsorption on the nitrobenzene conversion could be neglected. Besides, the nitrobenzene adsorption on Pd nanoparticles was quite fast; , the effect of the adsorption by Pd nanoparticles on the nitrobenzene conversion can also be ignored. For comparison, the catalytic membrane microreactors containing the PDA/Pd and PEMs/Pd catalyst layers were also investigated under the same conditions.…”

Section: Resultsmentioning

confidence: 99%

Preparation of a Catalyst Layer by Layer-by-Layer Self-Assembly for Plate-Type Catalytic Membrane Microreactors

Liu

Zhu

Liu

et al. 2020

Ind. Eng. Chem. Res.

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Benefiting from the structures of membrane and microchannel, catalytic membrane microreactors are attractive for multiphase catalytic reactions. In addition to the membrane development, the fabrication of an efficient catalyst layer on a supporting layer is also significant for improving the performance of the membrane microreactor. In the present study, a plate-type catalytic membrane microreactor with the catalyst layer prepared by the layer-by-layer self-assembly technology along with the in situ adsorption and reduction was proposed. Herein, polydopamine (PDA) and polyelectrolyte multilayers (PEMs) were coated on the surface of the polydimethylsiloxane supporting membrane to adsorb more PdCl 4 2− ions for the subsequent reduction. The synthesized catalyst layer termed as PDA/PEMs/Pd was characterized by analyzing the chemical composition and surface morphology. In addition, the catalytic performance of the developed microreactor was tested by using hydrogenation of nitrobenzene. The results showed that the use of both PDA and PEMs for preparing the catlayst layer yielded better conversion and durability than the use of PDA or PEMs alone. Besides, the nitrobenzene solution flow rate had an adverse impact of the nitrobenzene conversion resulting from the decreased residence time. With the increase of the hydrogen flow rate, the nitrobenzene conversion could be improved due to the increased gas permeation. The nirobenzene conversion also increased with a reduction in the initial concentration of nitrobenzene. In short, employing the layer-by-layer self-assembly technology for the catalyst layer preparation is promising for catalytic membrane microreactors toward multiphase catalytic reactions.

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“…As mentioned in the Introduction, owing to their high intensity, 14,21 the B 2 symmetry n AS (NO 2 ) and A 1 symmetry n S (NO 2 ) modes at 1531 and 1348 cm À1 respectively, represent key nitrobenzene modes for orientational diagnostics. The IR spectrum of activated GU-1 is presented in Fig.…”

Section: Molecular Symmetry and Dft: Assigning Key Nitrobenzene Modesmentioning

confidence: 99%

The adsorption of nitrobenzene over an alumina-supported palladium catalyst: an infrared spectroscopic study

McCullagh,

Gibson,

Parker

et al. 2023

Phys. Chem. Chem. Phys.

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Investigating the adsorption of nitrobenzene on M/Pd (1 1 1) bimetallic surface as an effective catalyst

Cited by 11 publications

References 46 publications

Adsorption of aromatic molecules on a black phosphorene surface: a first-principles study

Adsorption of aromatic molecules on a black phosphorene surface: a first-principles study

Preparation of a Catalyst Layer by Layer-by-Layer Self-Assembly for Plate-Type Catalytic Membrane Microreactors

The adsorption of nitrobenzene over an alumina-supported palladium catalyst: an infrared spectroscopic study

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Investigating the adsorption of nitrobenzene on M/Pd (1 1 1) bimetallic surface as an effective catalyst

Cited by 11 publications

References 46 publications

Adsorption of aromatic molecules on a black phosphorene surface: a first-principles study

Adsorption of aromatic molecules on a black phosphorene surface: a first-principles study

Preparation of a Catalyst Layer by Layer-by-Layer Self-Assembly for Plate-Type Catalytic Membrane Microreactors

The adsorption of nitrobenzene over an alumina-supported palladium catalyst: an infrared spectroscopic study

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Investigating the adsorption of nitrobenzene on M/Pd (1 1 1) bimetallic surface as an effective catalyst