Ni/CexZr1-xO2 catalyst prepared via one-step co-precipitation for CO2 reforming of CH4 to produce syngas: role of oxygen storage capacity (OSC) and oxygen vacancy formation energy (OVFE)

Prasad, Manohar; Ray, K.K.; Sinhamahapatra, Apurba; Sengupta, Samik

doi:10.1007/s10853-021-06720-5

Cited by 10 publications

(7 citation statements)

References 64 publications

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“…The convergence threshold was set to 1.0 × 10 –4 eV/atom for SCF, 1.0 × 10 –4 eV/atom for energy with a (4 × 4 × 1) Monkhorst–Pack grid. The effect of spin polarization was considered to calculate the energy of the model surface . The adsorption energy ( E ads expressed in eV) was calculated according to the following formulae where [ E ( X /75Ni–25Co)] and E (75Ni–25Co) are the total energy of the optimized surface of Ni–Co with adsorbate of boron/carbon and optimized 75Ni–25Co surface, respectively, E ( X ) is the energy of free atom of boron/carbon and N X is the number of carbon/boron atoms per unit cell …”

Section: Methodsmentioning

confidence: 99%

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NaBH₄-Assisted Synthesis of B–(Ni–Co)/MgAl₂O₄ Nanostructures for the Catalytic Dry Reforming of Methane

Shakir

Prasad

Ray

et al. 2022

ACS Appl. Nano Mater.

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Carbon deposition on a catalyst surface is detrimental to the dry reforming of methane (DRM) reaction. The addition of boron (B) is found to be effective in lowering carbon deposition. In this study, bimetallic Ni, Co catalysts over MgAl 2 O 4 (MA) [B−(Ni−Co)/ MA] with different Ni/Co ratios are synthesized by the NaBH 4 reduction method and examined for DRM at 600 °C and atmospheric pressure. The NaBH 4 plays crucial roles in reducing metal salt to metal, incorporating B, and enhancing the dispersion of active metallic species in a one-step catalyst preparation method. Rod-like Ni−Co alloy and B−(Ni−Co) nanostructures on the two-dimensional flakes of MA are observed. The Ni-rich B-containing bimetallic [B−(75Ni−25Co)] catalyst exhibits better methane and carbon dioxide conversions compared to other prepared catalysts. The turnover frequency (CH 4 ) and produced syngas ratio of the B-catalyst are 1.5 and 1.04 times, respectively, higher than the non-B catalyst prepared by the traditional impregnation method with the same Ni/Co ratio. The catalyst [B− (75Ni−25Co)] exhibits higher activity and almost a steady conversion rate, while continuous decrement is observed for the non-B catalyst. Exceptionally low carbon deposition (∼3.6 times) was observed for B−(75Ni−25Co)/ MA than the non-B catalyst. Furthermore, the density functional theory investigation also revealed that the adsorption energy (E ads ) of carbon at various sites of 75Ni25Co significantly reduces by ∼0.5 eV in the presence of B, causing hindrance to the formation of carbon over the surface.

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Section: Methodsmentioning

confidence: 99%

“…The effect of spin polarization was considered to calculate the energy of the model surface. 27 The adsorption energy (E ads expressed in eV) was calculated according to the following formulae…”

Section: Characterization Of Spent Catalystmentioning

confidence: 99%

NaBH₄-Assisted Synthesis of B–(Ni–Co)/MgAl₂O₄ Nanostructures for the Catalytic Dry Reforming of Methane

Shakir

Prasad

Ray

et al. 2022

ACS Appl. Nano Mater.

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“…Due to their high basicity, ceria, lanthana, boria, and baria are advantageous supports for Ni-based catalysts for reducing carbon deposition. [15][16][17] In contrast, few studies have incorporated barium into perovskite structures, as this structure induces the separation of barium and barium carbonate. However, the dispersion of barium species within the NiLa-based catalyst may effectively contrast coking kinetics 6 due to its inherent properties of high dielectric constant, proton conductivity, and the ability to produce hydrogen by chemical reactions due to its high thermal stability.…”

Section: Introductionmentioning

confidence: 99%

Optimizing barium promoter for nickel catalyst supported on yttria‐stabilized zirconia in dry reforming of methane

Al‐Fatesh

Ibrahim

Osman

et al. 2023

Energy Science & Engineering

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Barium doping effect on the activity and stability of nickel-based catalysts, supported on yttria-stabilized zirconia (Ni-YZr), was investigated in dry reforming of methane. Catalysts were characterized by several techniques (nitrogen sorption, X-ray diffraction [XRD], scanning electron microscopy with energy dispersive X-ray, transmission electron microscopy [TEM], thermogravimetric analysis [TGA], temperature programmed oxidation, CO 2 -TPD, H 2 -TPR) and were tested in a fixed-bed reactor at 800°C and 42,000 mL/h g cat . Barium played a crucial role in enhancing catalyst reducibility and CO 2 adsorption at high temperatures, as indicated by the activity and stability of the Ni-YZr catalyst. The addition of 4.0 wt% of barium appeared to be the optimal loading, allowing for CH 4 conversion of 82%, which remained constant for 7 h of reaction, compared with 72% of bariumunpromoted Ni-YZr at 800°C. TEM images of the spent catalysts revealed the formation of multiwalled carbon nanotubes on all samples. The TGA analysis showed, however, that an increase in baria loading significantly reduced the coke formation amount, indicating the inhibition of coke formation and the enhancement of the catalytic activity. Such improvement in activity and stability was attributed to the incorporation of barium into

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“…Ceria is best-known for its excellent OSC/ORC and the oxygen species including oxygen vacancy, lattice oxygen and absorbed oxygen show signicant inuence on the catalytic performance. 27,28 For nanosized ceria, there are also a considerable amount of oxygen vacancies spontaneously generated on the surface and in body at room temperature except for superoxide adsorption. Oxygen vacancy is an intrinsic defect which has a strong inuence on the optical property of nanocrystalline ceria.…”

Section: Resultsmentioning

confidence: 99%

Probing the role of surface activated oxygen species of CeO₂ nanocatalyst during the redox cycle in CO oxidation

et al. 2022

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Ni/CexZr1-xO2 catalyst prepared via one-step co-precipitation for CO2 reforming of CH4 to produce syngas: role of oxygen storage capacity (OSC) and oxygen vacancy formation energy (OVFE)

Cited by 10 publications

References 64 publications

NaBH₄-Assisted Synthesis of B–(Ni–Co)/MgAl₂O₄ Nanostructures for the Catalytic Dry Reforming of Methane

NaBH₄-Assisted Synthesis of B–(Ni–Co)/MgAl₂O₄ Nanostructures for the Catalytic Dry Reforming of Methane

Optimizing barium promoter for nickel catalyst supported on yttria‐stabilized zirconia in dry reforming of methane

Probing the role of surface activated oxygen species of CeO₂ nanocatalyst during the redox cycle in CO oxidation

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Ni/CexZr1-xO2 catalyst prepared via one-step co-precipitation for CO2 reforming of CH4 to produce syngas: role of oxygen storage capacity (OSC) and oxygen vacancy formation energy (OVFE)

Cited by 10 publications

References 64 publications

NaBH4-Assisted Synthesis of B–(Ni–Co)/MgAl2O4 Nanostructures for the Catalytic Dry Reforming of Methane

NaBH4-Assisted Synthesis of B–(Ni–Co)/MgAl2O4 Nanostructures for the Catalytic Dry Reforming of Methane

Optimizing barium promoter for nickel catalyst supported on yttria‐stabilized zirconia in dry reforming of methane

Probing the role of surface activated oxygen species of CeO2 nanocatalyst during the redox cycle in CO oxidation

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NaBH₄-Assisted Synthesis of B–(Ni–Co)/MgAl₂O₄ Nanostructures for the Catalytic Dry Reforming of Methane

NaBH₄-Assisted Synthesis of B–(Ni–Co)/MgAl₂O₄ Nanostructures for the Catalytic Dry Reforming of Methane

Probing the role of surface activated oxygen species of CeO₂ nanocatalyst during the redox cycle in CO oxidation