CO2 hydrogenation to methane over Ni/ZrO2 and Ni/CeO2 catalysts: experimental and DFT studies

Li, Dan; Ding, Xiangdong; Liu, Xu; Cheng, Jiahui; Jiang, Zhao

doi:10.1007/s10853-023-08814-8

Cited by 5 publications

(1 citation statement)

References 63 publications

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“…The results showed that Ni/ZrO 2 exhibited outstanding activity with a CH 4 yield of 21.03 mmol g −1 h −1 and excellent stability of 40 hours at 400 °C. 11 Ru doping for Ni/ZrO 2 significantly improved the CH 4 selectivity with almost 100% in a wide temperature range of 170 to 360 °C. 12 This provides ample evidence to support the potential of Ni catalysts and their doped modified counterparts as effective PTSC catalysts.…”

Section: Introductionmentioning

confidence: 99%

Hollow spherical Ni/ZrO₂ as a superior catalyst for syngas production from photothermal synergistic dry reforming of methane

Li,

Cheng,

et al. 2024

Catal. Sci. Technol.

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Section: Introductionmentioning

confidence: 99%

Hollow spherical Ni/ZrO₂ as a superior catalyst for syngas production from photothermal synergistic dry reforming of methane

Li,

Cheng,

et al. 2024

Catal. Sci. Technol.

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Transition‐Metal‐Doped CeO₂ for the Reverse Water‐Gas Shift Reaction: An Experimental and Theoretical Study on CO₂ Adsorption and Surface Vacancy Effects

Yu,

Xia,

et al. 2024

ChemSusChem

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Transition metal‐doped ceria (M‐CeO2) catalysts (M = Fe, Co, Ni and Cu) with multiple loadings were experimentally investigated for reverse water gas shift (RWGS) reaction. Density functional theory (DFT) calculations were performed to benchmark the properties that impact catalytic activity of CO2 reduction. Temperature‐programmed desorption (TPD) was conducted to study the CO2 binding strength on doped CeO2 surfaces; the trend of the energy along increasing metal loading agrees with the DFT calculations. Notably, CO2 dissociative adsorption energy and oxygen vacancy (OV) formation energy are key descriptors obtained from both DFT and experiments, which can be used to evaluate catalytic performance. Results show the effectiveness of transition metal doping in enhancing CO2 adsorption and reducibility of the surfaces, with Fe showing particularly promising results, i.e., CO2 conversion higher than 56% at 600 °C and 100% selectivity to CO. Cu exhibits 100% selectivity to CO but low CO2 conversion, while Co and Ni showed notable ability of methanation, particularly at high loadings. This study finds that an effective CeO2 based RWGS catalyst corresponds to OV sites that have low OV formation energies for surface reduction, and moderate CO2 adsorption energies for strong interaction with the surface to promote C‐O bond scission.

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Insights on the Highly Stable and Coke-Resistant Nickel/Zirconia Nanocatalyst for the Methanation of Carbon Dioxide

Phan,

Nguyen,

et al. 2024

Arab J Sci Eng

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CO2 hydrogenation to methane over Ni/ZrO2 and Ni/CeO2 catalysts: experimental and DFT studies

Cited by 5 publications

References 63 publications

Hollow spherical Ni/ZrO₂ as a superior catalyst for syngas production from photothermal synergistic dry reforming of methane

Hollow spherical Ni/ZrO₂ as a superior catalyst for syngas production from photothermal synergistic dry reforming of methane

Transition‐Metal‐Doped CeO₂ for the Reverse Water‐Gas Shift Reaction: An Experimental and Theoretical Study on CO₂ Adsorption and Surface Vacancy Effects

Insights on the Highly Stable and Coke-Resistant Nickel/Zirconia Nanocatalyst for the Methanation of Carbon Dioxide

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CO2 hydrogenation to methane over Ni/ZrO2 and Ni/CeO2 catalysts: experimental and DFT studies

Cited by 5 publications

References 63 publications

Hollow spherical Ni/ZrO2 as a superior catalyst for syngas production from photothermal synergistic dry reforming of methane

Hollow spherical Ni/ZrO2 as a superior catalyst for syngas production from photothermal synergistic dry reforming of methane

Transition‐Metal‐Doped CeO2 for the Reverse Water‐Gas Shift Reaction: An Experimental and Theoretical Study on CO2 Adsorption and Surface Vacancy Effects

Insights on the Highly Stable and Coke-Resistant Nickel/Zirconia Nanocatalyst for the Methanation of Carbon Dioxide

Contact Info

Product

Resources

About

Hollow spherical Ni/ZrO₂ as a superior catalyst for syngas production from photothermal synergistic dry reforming of methane

Hollow spherical Ni/ZrO₂ as a superior catalyst for syngas production from photothermal synergistic dry reforming of methane

Transition‐Metal‐Doped CeO₂ for the Reverse Water‐Gas Shift Reaction: An Experimental and Theoretical Study on CO₂ Adsorption and Surface Vacancy Effects