Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: An experimental and DFT study

Rasteiro, Letícia F.; Sousa, Rafael Arromba de; Vieira, Luiz H.; Ocampo-Restrepo, Vivianne K.; Verga, Lucas Garcia; Assaf, José Mansur; Silva, Juarez L. F. Da; Assaf, Elisabete Moreira

doi:10.1016/j.apcatb.2021.120842

Cited by 40 publications

(37 citation statements)

References 52 publications

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“…In particular, it has been found that the adsorbed HCOOH* can hydrogenate in a new transition state that is already being stable by hydrogen bonds. In an earlier study in 2022, Rasteiro et al applied DFT calculations to analyze the impact of alloy-support synergy on the catalytic performance of Ni 5 Ga 3 supported by SiO 2 , CeO 2 , and ZrO 2 [195]. The most promising catalyst, Ni 5 Ga 3 -ZrO 2 , had a reaction mechanism that the researchers proposed according to DFT results.…”

Section: Theoretical Studies Of Co 2 Conversionmentioning

confidence: 99%

Oxygenated Hydrocarbons from Catalytic Hydrogenation of Carbon Dioxide

2023

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Once fundamental difficulties such as active sites and selectivity are fully resolved, metal-free catalysts such as 3D graphene or carbon nanotubes (CNT) are very cost-effective substitutes for the expensive noble metals used for catalyzing CO2. A viable method for converting environmental wastes into useful energy storage or industrial wealth, and one which also addresses the environmental and energy problems brought on by emissions of CO2, is CO2 hydrogenation into hydrocarbon compounds. The creation of catalytic compounds and knowledge about the reaction mechanisms have received considerable attention. Numerous variables affect the catalytic process, including metal–support interaction, metal particle sizes, and promoters. CO2 hydrogenation into different hydrocarbon compounds like lower olefins, alcoholic composites, long-chain hydrocarbon composites, and fuels, in addition to other categories, have been explained in previous studies. With respect to catalyst design, photocatalytic activity, and the reaction mechanism, recent advances in obtaining oxygenated hydrocarbons from CO2 processing have been made both through experiments and through density functional theory (DFT) simulations. This review highlights the progress made in the use of three-dimensional (3D) nanomaterials and their compounds and methods for their synthesis in the process of hydrogenation of CO2. Recent advances in catalytic performance and the conversion mechanism for CO2 hydrogenation into hydrocarbons that have been made using both experiments and DFT simulations are also discussed. The development of 3D nanomaterials and metal catalysts supported on 3D nanomaterials is important for CO2 conversion because of their stability and the ability to continuously support the catalytic processes, in addition to the ability to reduce CO2 directly and hydrogenate it into oxygenated hydrocarbons.

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Section: Theoretical Studies Of Co 2 Conversionmentioning

confidence: 99%

Oxygenated Hydrocarbons from Catalytic Hydrogenation of Carbon Dioxide

2023

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“…However, further understanding, particularly the influencing manner of these basic/acidic sites in CO 2 hydrogenation, remains debatable. Furthermore, the combination of different metal oxides, particularly CeO 2 -ZrO 2 mixed oxides, has shown numerous benefits, including greater dispersion, reducibility, and interaction between metallic sites, e.g., Cu and support [33,[36][37][38]. Taking into consideration, for example, the Aubased catalysts on TiO 2 , due to the electronic polarization between Au and the support only observed in the presence of CeO 2 , both CO 2 adsorption and activation were greatly improved [39].…”

Section: Introductionmentioning

confidence: 99%

Correlations between the catalyst properties and catalytic activity of Au on ZrO2-CeO2 in the hydrogenation of CO2

Finšgar

Zavašnik

et al. 2023

Applied Surface Science

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“…In these materials, CO 2 and H 2 adsorption and intermediate stabilization occur at the metal–oxide interface with the participation of both phases in a bifunctional mechanism. 7–9…”

Section: Introductionmentioning

confidence: 99%

“…In these materials, CO 2 and H 2 adsorption and intermediate stabilization occur at the metal-oxide interface with the participation of both phases in a bifunctional mechanism. [7][8][9] Considering the metals already studied, including Au, Pd, Rh, and Ru, Cu-based catalysts present the advantage of being low cost compared to noble metals. In addition, in these materials, generally, the cleavage of only one of the bonds between carbon and oxygen occurs, which is crucial for generating oxygenated compounds.…”

Section: Introductionmentioning

confidence: 99%

Promoting effects of indium doped Cu/CeO₂ catalysts on CO₂ hydrogenation to methanol

et al. 2022

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Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: An experimental and DFT study

Cited by 40 publications

References 52 publications

Oxygenated Hydrocarbons from Catalytic Hydrogenation of Carbon Dioxide

Oxygenated Hydrocarbons from Catalytic Hydrogenation of Carbon Dioxide

Correlations between the catalyst properties and catalytic activity of Au on ZrO2-CeO2 in the hydrogenation of CO2

Promoting effects of indium doped Cu/CeO₂ catalysts on CO₂ hydrogenation to methanol

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Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: An experimental and DFT study

Cited by 40 publications

References 52 publications

Oxygenated Hydrocarbons from Catalytic Hydrogenation of Carbon Dioxide

Oxygenated Hydrocarbons from Catalytic Hydrogenation of Carbon Dioxide

Correlations between the catalyst properties and catalytic activity of Au on ZrO2-CeO2 in the hydrogenation of CO2

Promoting effects of indium doped Cu/CeO2 catalysts on CO2 hydrogenation to methanol

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Promoting effects of indium doped Cu/CeO₂ catalysts on CO₂ hydrogenation to methanol