Hydrogenation of CO2 on the polymetallic catalysts prepared by self-propagating high-temperature synthesis

Borshch, V. N.; Pugacheva, E. V.; Zhuk, S. Ya.; Смирнова, Е. М.; Demikhova, N. R.; Винокуров, В. А.

doi:10.1007/s11172-020-2950-0

Cited by 8 publications

(4 citation statements)

References 17 publications

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“…In heterogeneous catalysis, the catalytic hydrogenation reaction is considered as one of the important reactions and is very vital for several industrial reactions, such as the hydrodechlorination , and hydrogenation of unsaturated hydrocarbons. − All these reactions involve hydrogen dissociation reaction (HDR) as a fundamental or elementary step. Moreover, upon dissociation, the hydrogen molecule dissociates into active atomic hydrogen, which is then adsorbed onto the catalyst surface or a support material, hence making it feasible to store a huge quantity of hydrogen at optimal pressures and temperatures. , Additionally, in the hydrogenation process, the hydrogen dissociation step is regarded as the rate-limiting or rate-determining steps.…”

Section: Introductionmentioning

confidence: 99%

Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study

Sarfaraz,

Yar,

Hussain

et al. 2023

ACS Omega

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Hydrogen is currently considered as the best alternative for traditional fuels due to its sustainable and ecofriendly nature. Additionally, hydrogen dissociation is a critical step in almost all hydrogenation reactions, which is crucial in industrial chemical production. A cost-effective and efficient catalyst with favorable activity for this step is highly desirable. Herein, transition-metal-doped fullerene (TM@C60) complexes are designed and investigated as single-atom catalysts for the hydrogen splitting process. Interaction energy analysis (E int) is also carried out to demonstrate the stability of designed TM@C60 metallofullerenes, which reveals that all the designed complexes have higher thermodynamic stability. Furthermore, among all the studied metallofullerenes, the best catalytic efficiency for hydrogen dissociation is seen for the Sc@C60 catalyst E a = 0.13 eV followed by the V@C60 catalyst E a = 0.19 eV. The hydrogen activation and dissociation processes over TM@C60 metallofullerenes is further elaborated by analyzing charge transfer via the natural bond orbital and electron density difference analyses. Additionally, quantum theory of atoms in molecule analysis is carried out to investigate the nature of interatomic interactions between hydrogen molecules and TMs@C60 metallofullerenes. Overall, results of the current study declare that the Sc@C60 catalyst can act as a low cost, highly efficient, and noble metal-free single-atom catalyst to efficiently catalyze hydrogen dissociation reaction.

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Section: Introductionmentioning

confidence: 99%

Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study

Sarfaraz,

Yar,

Hussain

et al. 2023

ACS Omega

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“…Most studies on Al–Cu–Fe alloys were aimed at the synthesis of Al 63-70 Cu 20-25 Fe 10-12 quasicrystals of icosahedral structure [ 3 , 4 , 5 , 6 , 7 ] for a variety of applications: antimicrobial agents [ 8 ], decomposition of hazardous materials [ 9 ], carbon nanotube growth catalysts [ 10 ], magnetic materials [ 4 , 11 ], anodes in lithium batteries [ 12 ], fillers with ultralow wear [ 13 ], and catalysts in steam reforming of methanol [ 14 , 15 ]. Moreover, nanostructured powder alloys are becoming popular in traditional heterogeneous catalysis [ 16 , 17 ], e.g., in hydrogenation reactions of CO (CO 2 ) [ 18 ], synthesis of carbon fibers [ 19 ], decomposition of chlorine-containing hydrocarbons [ 20 , 21 ], decomposition of polymers [ 22 ], and in steam and dry reforming [ 23 ].…”

Section: Introductionmentioning

confidence: 99%

“…As mentioned earlier, for catalysis, the specific surface area must be high, which implies that the size of the powder particles and nano-aggregates must be small, which can be obtained by processes, such as self-propagating high-temperature synthesis [ 16 , 17 , 18 ]. However, even a short high-temperature exposure can be detrimental, leading to aggregate coarsening, which requires additional processing to increase the specific surface area of the powders [ 17 ].…”

Section: Introductionmentioning

confidence: 99%

Elimination of Composition Segregation in 33Al–45Cu–22Fe (at.%) Powder by Two-Stage High-Energy Mechanical Alloying

et al. 2022

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In the present work, complex powder alloys containing spinel as a minor phase were produced by mechanical alloying in a high-energy planetary ball mill from a 33Al–45Cu–22Fe (at.%) powder blend. These alloys show characteristics suitable for the synthesis of promising catalysts. The alloying was conducted in two stages: at the first stage, a Cu+Fe powder mixture was ball-milled for 90 min; at the second stage, Al was added, and the milling process was continued for another 24 min. The main products of mechanical alloying formed at each stage were studied using X-ray diffraction phase analysis, Mössbauer spectroscopy, transmission electron microscopy, and energy-dispersive spectroscopy. At the end of the first stage, crystalline iron was not found. The main product of the first stage was a metastable Cu(Fe) solid solution with a face-centered cubic structure. At the second stage, the Cu(Fe) solid solution transformed to Cu(Al), several Fe-containing amorphous phases, and a spinel phase. The products of the two-stage process were different from those of the single-stage mechanical alloying of the ternary elemental powder mixture; the formation of undesirable intermediate phases was avoided, which ensured excellent composition uniformity. A sequence of solid-state reactions occurring during mechanical alloying was proposed. Mesopores and a spinel phase were the features of the two-stage milled material (both are desirable for the target catalyst).

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“…A best way to go about solving the problem is the process of its catalytic hydrogenation that affords for yielding such products as methane [6], higher hydrocarbons [7], methanol [8], higher alcohols [9], and olefins [10]. High yields of methane, higher hydrocarbons, and unsaturated compounds in the hydrogenation of CO 2 over the polymetallic Ni-Co-Fe catalysts prepared by SHS method was reported in [11].…”

Section: Introductionmentioning

confidence: 99%

SHS of Co and Co–V Catalysts for Deep Oxidation/Hydrogenation Processes

Pugacheva

Zhuk

Borshch

et al. 2021

Int. J Self-Propag. High-Temp. Synth.

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Polymetallic Co90-V10 catalyst was derived from an SHS-produced Co-V-Al precursor and its performance in the deep oxidation of СО, propane and in the СО 2 hydrogenation was determined and compared with that of previously synthesized Co100 and Co95-V5 polymetallic catalysts. The precursor and catalyst were characterized by XRD, SEM, and BET analyses. In the processes of deep oxidation, Co90-V10 catalyst showed the best results. The CO 2 hydrogenation turned independent of V content of catalyst. A maximum of CO 2 conversion (65% at 350°C) was exhibited by Со100 catalyst. The СО 2 conversion over Co100 and Co95-V5 catalysts was found to show a maximum at a gas hour space velocity (GHSV) of 6000 h -1 .

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Hydrogenation of CO2 on the polymetallic catalysts prepared by self-propagating high-temperature synthesis

Cited by 8 publications

References 17 publications

Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study

Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study

Elimination of Composition Segregation in 33Al–45Cu–22Fe (at.%) Powder by Two-Stage High-Energy Mechanical Alloying

SHS of Co and Co–V Catalysts for Deep Oxidation/Hydrogenation Processes

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