Catalytic activity of synthesized 2D MoS2/graphene nanohybrids for the hydrodesulfurization of SRLGO: experimental and DFT study

Mahmoudabadi, Zohal Safaei; Tavasoli, Ahmad; Rashidi, Alimorad; Esrafili, Mehdi D.

doi:10.1007/s11356-020-10889-8

Cited by 13 publications

(5 citation statements)

References 52 publications

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“…[9][10][11][12] Recently, composites of polymers and 2D semiconducting nanostructures, such as those of MoS 2 , have been synthesized to overcome the sensitivity limitations of 2D TMDbased sensors. [13][14][15][16] Because 2D carbon-based materials are highly sensitive to gases owing to their intrinsic electrical properties, hybrid layers based on 2D TMDs and graphene with high electron transfer rates and surface-to-volume ratios were utilized to enhance electrochemical and sensing behaviors. [17][18][19] One-dimensional carbon nanostructures such as carbon nanotubes (CNTs), graphene oxide (GO), and reduced graphene oxide (rGO) were explored for application as gas sensors.…”

Section: Introductionmentioning

confidence: 99%

Facile fabrication of gas sensors based on molybdenum disulfide nanosheets and carbon nanotubes by self-assembly

et al. 2023

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Section: Introductionmentioning

confidence: 99%

Facile fabrication of gas sensors based on molybdenum disulfide nanosheets and carbon nanotubes by self-assembly

et al. 2023

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“…Current keen interest in thiophene reactive adsorption to metal complexes supported on surfaces is limited by a dearth of information about the local structure of the molecules under reaction conditions. To date, studies of thiophene binding to transition metal complexes supported on solid substrates have been limited (vide infra). , Particular attention has been focused on in situ HDS studies monitoring the reaction of thiophenes with molybdenum, tungsten, and rhenium with Co, Mg, or Ni promoters adsorbed on metal oxides (Al 2 O 3 , SiO 2 ) and graphite. ,− Studies involving catalyst characterization, thiophene adsorption, and reaction dynamics employed X-ray, IR, , nuclear magnetic resonance (NMR), , and DFT methods. , Proposed thiophene binding modes to the different metal centers on the surface included η 1 (S) and η 5 (CC) coordination . However, because the catalyst surface is complex, the mode(s) of thiophene absorption and reaction dynamics are still not well established.…”

Section: Introductionmentioning

confidence: 99%

In Situ Imaging and Computational Modeling Reveal That Thiophene Complexation with Co(II)porphyrin/Graphite Is Highly Cooperative

et al. 2022

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Scanning tunneling microscopy (STM) was employed to quantitively investigate in situ binding of 3-phenyl thiophene (PhTh) to Co(II)octaethyl porphyrin (CoOEP) supported on highly ordered pyrolytic graphite (HOPG) in fluid solution. To our knowledge, this is the first single-molecule level study of a complexation reaction between a metalloporphyrin and a sulfur base at the solution/solid interface and one of the few examples of thiophene coordination with a d7 transition metal. Real-time imaging experiments revealed that PhTh binds reversibly to HOPG-supported CoOEP at room temperature. The coordination process increases with increasing PhTh concentration. The nearest-neighbor analysis of STM images indicates that the complexation reaction is cooperative. Because PhTh does not bind to CoOEP in solution, the STM results strongly suggest that the presence of HOPG is crucial to observe ligand binding and cooperativity in this system. Periodic plane-wave density functional theory (DFT) computations corroborate that PhTh has low binding affinity toward CoOEP in solution but predict that the ligand can adsorb to CoOEP/HOPG through coordination with S atoms or interact through noncovalent π–π bonding with the porphyrin chromophore. Three possible structures were considered, and DFT theory was used to calculate binding energies and free energies. In solution and on the HOPG surface both a π–π configuration and a η1(S) configuration have similar computed energies. The η1(S) structure shows the largest stabilization in going from the vapor to adsorbed on HOPG. We also show that statistical analysis of nearest neighbors is more sensitive to cooperative binding than is fitting with the Temkin or Langmuir isotherm. The implication is that isotherm fitting alone is insufficient for identifying cooperative binding on surfaces.

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“…in industrial, transport, and domestic activities for energy production constitute an important source of air pollution (Fan et al, 2013;Shen et al, 2009). However, when using these fuels, the release of persistent impurities, especially for small organic sulfur compounds (mercaptans, thioethers, disulfides, and others) is still an issue that is raising concern (Daraee et al, 2021;Mahmoudabadi, 2021;Sun et al, 2017). Mercaptans (thiol) are featured by unbearable odor as a result of sulfur-contained compounds (Bashkova et al, 2002).…”

Section: Introductionmentioning

confidence: 99%

Adsorption performance and mechanisms of mercaptans removal from gasoline oil using core-shell AC-based adsorbents

Ndagijimana

Liu

et al. 2021

Environ Sci Pollut Res

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Sulfur compound detection such as mercaptans in liquid fuels is undesirable because sulfur is the main sourcing emission of sulfur oxide (SO x ) into the air. The use of activated carbon (AC) has proven to efficiently remove mercaptans. In the meantime, it is limited by the generation of the second pollution in oil, and the difficulties of recovery and regeneration. To address these issues, a core-shell structured AC with high mechanical strength and big intra-particles space were synthesized and demonstrated to efficiently remove organic pollutants from an aqueous solution without generation of the second pollution in our previous work. However, the performance, characteristics, and mechanism of mercaptans adsorption from gasoline oil by core-shell structured AC was still unclear. In this study, the mercaptans adsorption behaviors using core-shell powdered activated carbon (CSAC) and core-shell granulated activated carbon (CSGAC), along with raw PAC, PAC-core, raw GAC, and GAC-core were carried out. The results showed that both the CSAC and CSGAC adsorbents effectively removed sulfur-based pollutants and were provided with good recovery and recyclability without second pollution in gasoline oil. The CSGAC exhibited a higher mercaptans removal efficiency compared to those of CSAC as a result of the bigger intra-particles space. PAC-based adsorbents, presented the shrinking of removal efficiency after regeneration. The Pseudo-second-order kinetics and Langmuir isotherms models were dominated for mercaptans adsorption by both CSAC and CSGAC. Furthermore, the interactions between mercaptans and the composites were probably ascribed to the Van der Waals force, hydrophobic compatibility, pore texture, and π-π dispersion interaction.

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Catalytic activity of synthesized 2D MoS2/graphene nanohybrids for the hydrodesulfurization of SRLGO: experimental and DFT study

Cited by 13 publications

References 52 publications

Facile fabrication of gas sensors based on molybdenum disulfide nanosheets and carbon nanotubes by self-assembly

Facile fabrication of gas sensors based on molybdenum disulfide nanosheets and carbon nanotubes by self-assembly

In Situ Imaging and Computational Modeling Reveal That Thiophene Complexation with Co(II)porphyrin/Graphite Is Highly Cooperative

Adsorption performance and mechanisms of mercaptans removal from gasoline oil using core-shell AC-based adsorbents

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