Single-atoms supported (Fe, Co, Ni, Cu) on graphitic carbon nitride for CO2 adsorption and hydrogenation to formic acid: First-principles insights

Homlamai, Kan; Maihom, Thana; Choomwattana, Saowapak; Sawangphruk, Montree; Limtrakul, Jumras

doi:10.1016/j.apsusc.2019.143928

Cited by 57 publications

(50 citation statements)

References 56 publications

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“…The catalyst for this reaction needs the aid of alkaline aqueous solution 24 or unique support additives. 32,33…”

Section: Reactions In Co2 Hydrogenationmentioning

confidence: 99%

“…A change in the electronic structure can cause a big change in the selectivity. 26–35 One can shift the selectivity of CO 2 hydrogenation from selective production of methane to methanol or CO or even formic acid by the change of the catalyst structure. The electronic structure of a supported Ni catalyst can be tuned by the physical structure and components, including the supporting material, of the catalyst.…”

Section: Introductionmentioning

confidence: 99%

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Advances in studies of the structural effects of supported Ni catalysts for CO₂hydrogenation: from nanoparticle to single atom catalyst

et al. 2022

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“…The catalyst for this reaction needs the aid of alkaline aqueous solution 24 or unique support additives. 32,33…”

Section: Reactions In Co2 Hydrogenationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Advances in studies of the structural effects of supported Ni catalysts for CO₂hydrogenation: from nanoparticle to single atom catalyst

et al. 2022

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“…DFT calculations are generally regarded as a suitable means to verify and predict the relationship between the orbital configuration of metal atoms and the catalytic activity. [ 85,86 ] In most reported works, the calculation method mainly focuses on the Vienna Ab‐initio Simulation Package and Gaussian, and there are also other works adopting the Cambridge Sequential Total Energy Package (CASTEP). Chen et al confirmed the electronic environment and bonding state of Au atoms on the surface of carbon nitride.…”

Section: Coordination Geometry Electronic Structure and Characterization Of Carbon Nitride–supported Smasmentioning

confidence: 99%

Single Metal Atom Decorated Carbon Nitride for Efficient Photocatalysis: Synthesis, Structure, and Applications

et al. 2021

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Graphitic carbon nitride (g‐C3N4), as a new type of visible‐light‐responsive photocatalyst, has a unique 2D building unit, excellent chemical stability, and a tunable electronic structure. At the same time, g‐C3N4 has a large number of periodically separated N atoms that can act as anchoring sites for various functional materials, particularly single metal atoms (SMAs). Recently, supported single atoms have attracted much attention in the field of photocatalysis. Also, it has been shown that g‐C3N4 is a wonderful material to support atomically dispersed SMA photocatalysts, such as Pd, Pt, Cu, Co, Ni, and Fe. Herein, the latest progress on g‐C3N4 synthesis strategies and the synergy between this material and SMA catalysts is summarized. The coordination environment and electronic structure of SMAs on g‐C3N4 are discussed, and the available characterization techniques for studying the physiochemical properties are summarized. Applications of g‐C3N4‐supported SMA catalysts for photocatalytic hydrogen production, CO2 reduction, organic synthesis, and nitrogen fixation are reviewed. This review is concluded with a discussion of the remaining challenges and future perspectives. It is hoped that by using SMAs anchored on g‐C3N4 as examples this review will help to elucidate the fundamentals and the great potential of SMA‐based catalysts, and promote their further development.

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“…[17] Moreover, the different synthetic conditions for g-C 3 N 4 for CO 2 adsorption and conversion make it difficult to completely understand the mechanism for the conversion of captured CO 2 into commodities within a single material. [18] Herein, the CO 2 adsorption and conversion mechanism within a single material of triazole-based C 3 N 5 nanorods was investigated. We synthesized triazole-based C 3 N 5 nanorods with tailored pore sizes, basicity, and binding energies, which could affect the CO 2 adsorption and conversion behavior of carbon nitride.…”

Section: Introductionmentioning

confidence: 99%

Tailoring the Pore Size, Basicity, and Binding Energy of Mesoporous C₃N₅ for CO₂ Capture and Conversion

Kim

Singh

Sathish

et al. 2021

Chemistry An Asian Journal

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We investigated the CO 2 adsorption and electrochemical conversion behavior of triazole-based C 3 N 5 nanorods as a single matrix for consecutive CO 2 capture and conversion. The pore size, basicity, and binding energy were tailored to identify critical factors for consecutive CO 2 capture and conversion over carbon nitrides. Temperature-programmed desorption (TPD) analysis of CO 2 demonstrates that triazole-based C 3 N 5 shows higher basicity and stronger CO 2 binding energy than g-C 3 N 4 . Triazole-based C 3 N 5 nanorods with 6.1 nm mesopore channels exhibit better CO 2 adsorption than nanorods with 3.5 and 5.4 nm mesopore channels. C 3 N 5 nanorods with wider mesopore channels are effective in increasing the current density as an electrocatalyst during the CO 2 reduction reaction. Triazole-based C 3 N 5 nanorods with tailored pore sizes exhibit CO 2 adsorption abilities of 5.6-9.1 mmol/g at 0 °C and 30 bar. Their Faraday efficiencies for reducing CO 2 to CO are 14-38% at a potential of À 0.8 V vs. RHE.

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Single-atoms supported (Fe, Co, Ni, Cu) on graphitic carbon nitride for CO2 adsorption and hydrogenation to formic acid: First-principles insights

Cited by 57 publications

References 56 publications

Advances in studies of the structural effects of supported Ni catalysts for CO₂hydrogenation: from nanoparticle to single atom catalyst

Advances in studies of the structural effects of supported Ni catalysts for CO₂hydrogenation: from nanoparticle to single atom catalyst

Single Metal Atom Decorated Carbon Nitride for Efficient Photocatalysis: Synthesis, Structure, and Applications

Tailoring the Pore Size, Basicity, and Binding Energy of Mesoporous C₃N₅ for CO₂ Capture and Conversion

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Single-atoms supported (Fe, Co, Ni, Cu) on graphitic carbon nitride for CO2 adsorption and hydrogenation to formic acid: First-principles insights

Cited by 57 publications

References 56 publications

Advances in studies of the structural effects of supported Ni catalysts for CO2hydrogenation: from nanoparticle to single atom catalyst

Advances in studies of the structural effects of supported Ni catalysts for CO2hydrogenation: from nanoparticle to single atom catalyst

Single Metal Atom Decorated Carbon Nitride for Efficient Photocatalysis: Synthesis, Structure, and Applications

Tailoring the Pore Size, Basicity, and Binding Energy of Mesoporous C3N5 for CO2 Capture and Conversion

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Product

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Advances in studies of the structural effects of supported Ni catalysts for CO₂hydrogenation: from nanoparticle to single atom catalyst

Advances in studies of the structural effects of supported Ni catalysts for CO₂hydrogenation: from nanoparticle to single atom catalyst

Tailoring the Pore Size, Basicity, and Binding Energy of Mesoporous C₃N₅ for CO₂ Capture and Conversion