Atomic coordination structural dynamic evolution of single-atom Mo catalyst for promoting H2 activation in slurry phase hydrocracking

Sun, Guangxun; Liu, Dongyuan; Li, Min; Tao, Shu; Guan, Zekun; Chen, Yanfei; Liu, Shihuan; Du, Qingzhou; Guo, Han; Yuan, Xinyue; Zhang, Xinying; Zhu, Houyu; Liu, Bin; Pan, Yuan

doi:10.1016/j.scib.2023.02.028

Cited by 24 publications

(16 citation statements)

References 45 publications

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“…The two peaks located at 228.9 and 232.2 eV can be attributed to Mo 4+ 3 d 5/2 and Mo 4+ 3 d 3/2 , [ 47,48 ] while the peaks at 233.5 and 235.4 eV can be attributed to Mo 6+ 3 d 5/2 and Mo 6+ 3 d 3/2 . [ 49 ] In particular, compared with Mo/Ni 3 Se 2 , the binding energy of Mo 4+ 3 d 5/2 and Mo 6+ 3 d 5/2 orbitals in Pt 1 Mo 1 /Ni 3 Se 2 exhibits positive shifts of about 0.15 and 0.4 eV, respectively. It further indicates the synergistic effect of electron transfer from Mo to Pt between Pt/Mo dual atom, which is the reason why Pt 1 Mo 1 /Ni 3 Se 2 catalyst has excellent HER performance.…”

Section: Resultsmentioning

confidence: 99%

Constructing Ni₃Se₂‐Nanoisland‐Confined Pt₁Mo₁ Dual‐Atom Catalyst for Efficient Hydrogen Evolution in Basic Media

Ma,

Xia,

Guo

et al. 2023

Small Structures

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Constructing efficient and stable catalysts is the key to achieving green hydrogen production through electrolysis of water. Atomically dispersed catalysts have received widespread attention due to their high atomic utilization and catalytic efficiency. Herein, Pt1Mo1 dual‐atom catalysts anchored on the nickel selenide nanoisland (Pt1Mo1/Ni3Se2) are prepared by a two‐step method. It only needs 53 mV to deliver the current density of 10 mA cm−2 in 1 M KOH media, and the mass activity at 200 mV is approximately 4.13 times higher than that of Pt/C. In addition, the Pt1Mo1/Ni3Se2 also exhibits electrochemical stability of nearly 60 h at 20 mA cm−2. It is shown in the studies that the synergistic effect between Pt and Mo atoms enables the migration of electrons around Mo atoms toward Pt, thus realizing charge redistribution. Further density functional theory calculations verify that synergistic effect of Pt and Mo atoms could optimize the adsorption of H*, enhancing the hydrogen evolution reaction activity. Moreover, the Ni3Se2 nanoisland prevents the aggregation of Pt and Mo dual atom, effectively improving the stability of the catalyst. In this work, a nanoisland confined strategy is provided to construct atomically dispersed catalysts with high activity and stability for water splitting.

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Section: Resultsmentioning

confidence: 99%

Constructing Ni₃Se₂‐Nanoisland‐Confined Pt₁Mo₁ Dual‐Atom Catalyst for Efficient Hydrogen Evolution in Basic Media

Ma,

Xia,

Guo

et al. 2023

Small Structures

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“…However, SACs can precisely calculate the local structure and coordination environment of the active species by some characterization means [e.g., the X-ray adsorption fine structure (XAFS)]; therefore, SACs can avoid the problem of an uneven surface structure and particle size caused by metal agglomeration. − The mechanistic studies of loaded catalysts in hydroformylation are at a preliminary stage, and the active site structure determined by SACs is more favorable for the mechanistic studies. In addition, supported SACs with a precise active site structure are less affected by solvents and substrates during the reaction process; therefore, they have significant advantages in selective catalysis. − …”

Section: Single-atom Engineering In Improving Hydroformylation Activi...mentioning

confidence: 99%

Outlook of Cobalt-Based Catalysts for Heterogeneous Hydroformylation of Olefins: From Nanostructures to Single Atoms

Gao,

Liu,

Wang

et al. 2023

Energy Fuels

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Hydroformylation of olefins, as a study of olefinic downstream derivative production, is of great relevance in chemical production. Heterogeneous hydroformylation is beneficial for catalyst separation and recycling compared to homogeneous systems. Cobalt is a cheap metal with excellent catalytic activity in hydroformylation as well as the precious metal rhodium. Therefore, the research on cobalt-based catalysts for heterogeneous hydroformylation has great value and significance. The nano or atomic structures of cobalt-based catalysts have significant impact on the catalytic behaviors of the hydroformylation process. There is rarely the design principles report on how to achieve significant improvement in hydroformylation performance by regulating the structure of the cobalt-based catalyst. Herein, we review the recent research progress on heterogeneous hydroformylation by cobalt-based catalysts with different metal sizes (from nanostructures to single atoms). On the basis of the difference in the catalytic mechanism between homogeneous and heterogeneous hydroformylation, we summarize and propose the regulation principles to enhance the activity and stability of cobalt-based catalysts in hydroformylation, where single-atom engineering is expected to achieve unity of high activity and stability of cobalt-based catalysts for hydroformylation applications. At the end of this review, we present an outlook on the opportunities and challenges in developing cobalt-based catalysts for heterogeneous hydroformylation.

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“…H 2 is a highly efficient and clean fuel, known for its high energy density. [ 179 ] Utilizing semiconductors for photocatalytic H 2 evolution offers a sustainable and cost‐effective approach to converting solar energy. [ 6 ] Although significant efforts have been devoted to achieving excellent performance in water splitting for H 2 evolution, the practical application of desired solar‐to‐H 2 efficiency is still impeded by the fast recombination of photogenerated electron‐hole pairs and inadequate surface‐active sites.…”

Section: Photocatalytic Energy Conversion Of D−a Type Conjugated Poly...mentioning

confidence: 99%

Molecular‐Level Regulation Strategies Toward Efficient Charge Separation in Donor−Acceptor Type Conjugated Polymers for Boosted Energy‐Related Photocatalysis

Wang,

Liu,

et al. 2023

Advanced Energy Materials

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The development of efficient photocatalysts for artificial photocatalytic energy conversion is an intriguing strategy. Promisingly, conjugated polymers (CPs) have been actively investigated as alternatives to traditional inorganic semiconductors for photocatalysis due to their molecularly tunable optoelectronic properties, thus providing a great platform for molecular design. Incorporating donor (D) and acceptor (A) units into the backbone of CPs ensures an adequate D−A interface, which is essential for facilitating charge separation. This approach also allows for tunable bandgaps and optoelectronic properties, leading to significant progress in photocatalytic energy conversions in recent years. Here, the fundamentals of D–A type CPs for photocatalysis are initially outlined, followed by advanced experimental methods and density functional theory (DFT) calculations for investigating carrier dynamics. Then, a detailed exposition of the synthetic strategies for D−A type CPs is carried out. Their extensive applications in diverse energy‐related photocatalytic conversions, such as hydrogen evolution, oxygen evolution, overall water splitting, CO2 reduction, N2 reduction, and H2O2 evolution are comprehensively presented. This review provides new and comprehensive insights into the molecular‐level design of D−A type CPs catalysts for boosted photocatalytic energy conversion, which is expected to further advance the development of CPs in photocatalysis.

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Atomic coordination structural dynamic evolution of single-atom Mo catalyst for promoting H2 activation in slurry phase hydrocracking

Cited by 24 publications

References 45 publications

Constructing Ni₃Se₂‐Nanoisland‐Confined Pt₁Mo₁ Dual‐Atom Catalyst for Efficient Hydrogen Evolution in Basic Media

Constructing Ni₃Se₂‐Nanoisland‐Confined Pt₁Mo₁ Dual‐Atom Catalyst for Efficient Hydrogen Evolution in Basic Media

Outlook of Cobalt-Based Catalysts for Heterogeneous Hydroformylation of Olefins: From Nanostructures to Single Atoms

Molecular‐Level Regulation Strategies Toward Efficient Charge Separation in Donor−Acceptor Type Conjugated Polymers for Boosted Energy‐Related Photocatalysis

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Atomic coordination structural dynamic evolution of single-atom Mo catalyst for promoting H2 activation in slurry phase hydrocracking

Cited by 24 publications

References 45 publications

Constructing Ni3Se2‐Nanoisland‐Confined Pt1Mo1 Dual‐Atom Catalyst for Efficient Hydrogen Evolution in Basic Media

Constructing Ni3Se2‐Nanoisland‐Confined Pt1Mo1 Dual‐Atom Catalyst for Efficient Hydrogen Evolution in Basic Media

Outlook of Cobalt-Based Catalysts for Heterogeneous Hydroformylation of Olefins: From Nanostructures to Single Atoms

Molecular‐Level Regulation Strategies Toward Efficient Charge Separation in Donor−Acceptor Type Conjugated Polymers for Boosted Energy‐Related Photocatalysis

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Constructing Ni₃Se₂‐Nanoisland‐Confined Pt₁Mo₁ Dual‐Atom Catalyst for Efficient Hydrogen Evolution in Basic Media

Constructing Ni₃Se₂‐Nanoisland‐Confined Pt₁Mo₁ Dual‐Atom Catalyst for Efficient Hydrogen Evolution in Basic Media