CO₂ Hydrogenation with High Selectivity by Single Bi Atoms on MXenes Enabled by a Concerted Mechanism

ACS Catalysis, Год журнала: 2024, Номер 14(3), С. 1824 - 1833

Опубликована: Янв. 19, 2024

Developing efficient catalysts for the capture and direct conversion of CO2 into various chemicals is essential to alleviate emissions minimize negative environmental effects fossil fuels. Combining density functional theory calculations microkinetic analysis, we propose that single Bi atoms supported on V2CO2 MXenes (Bi@V2CO2) are promising single-atom (SAC) hydrogenation. The catalytic performance SACs ensured by stable dispersion enhanced adsorption CO2. Of importance, Bi@V2CO2 exhibits remarkable selectivity toward synthesis formic acid (HCOOH), in which main competing reaction, namely, reverse water gas shift (RWGS) formation CO, strictly prohibited. In contrast conventional Cu or In2O3 catalysts, hydrogenation a unique mechanism Bi@V2CO2, directly generated via concerted pathway. As result, both intermediate HCOO COOH prevented, leading high (nearly 100%) HCOOH Bi@V2CO2. Moreover, analysis kinetic behavior suggests stabilization would be an effective approach promote catalyst methanol synthesis.

Язык: Английский

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Molten Salt Derived MXenes: Synthesis and Applications

Advanced Science, Год журнала: 2024, Номер unknown

Опубликована: Июль 17, 2024

Abstract About one decade after the first report on MXenes, these 2D early transition metal carbides or nitrides have become among best‐performing materials in electrode applications related to electrical energy storage devices and power‐to‐fuels conversion. MXenes are obtained by a top‐down approach starting from appropriate 3D MAX phase that undergoes etching of A‐site metal. Initial procedures based use concentrated HF situ generation this highly corrosive poisonous reagent. Etching is major hurdles limiting progress field. The present review summarizes an alternative, universal, easily scalable procedure treating precursor with Lewis acid molten salt. starts presenting current state art salt obtain modify MXene, followed summary MXene samples. aim show versatility advantages terms general applicability, control surface terminal groups, uniform deposition nanoparticles, other features procedure.

Язык: Английский

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Material design and prospect of dual-functional materials for integrated carbon dioxide capture and conversion

Carbon Capture Science & Technology, Год журнала: 2024, Номер 12, С. 100207 - 100207

Опубликована: Март 11, 2024

Large amounts of CO2 were discharged into the atmosphere, resulting in a severe greenhouse effect and inducing ecological environmental problems that threaten human survival. Integrated carbon dioxide capture conversion (ICCC) with Dual Functional Materials (DFMs) was promising process to emission flue gas convert it value-added chemicals, reducing energy consumption economic cost. The catalytic component DFMs enhances hydrogen source activation promotes carbonate hydrogenation produce high chemicals. achieved regeneration dual-functional materials, which is key realizing ICCC process. This research focuses on development different sources (hydrogen or light alkanes) for recent years. In addition, reaction mechanism components modification discussed improve in-situ activity Finally, future prospects anticipated guide application scenarios

Язык: Английский

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MXene-based catalysts: A review

Materials Today Catalysis, Год журнала: 2024, Номер 5, С. 100054 - 100054

Опубликована: Май 27, 2024

Two-dimensional (2D) materials, such as graphene, hexagonal boron nitride, 2D metal–organic frameworks, layered double hydroxides, transition metal dichalcogenides, and MXenes, have garnered significant attention in catalysis due to their exceptional properties structures. Notably, recent studies revealed the promising catalytic activity of MXene-based catalysts for many reactions, including hydrogen evolution, oxygen reduction, nitrogen carbon dioxide alcohol oxidation, hydrogenation, dehydrogenation, methanol conversion, dry reforming methane, CO oxidation. This review offers a summary advances field, contextualizing progress made. Additionally, it delves into existing challenges while presenting prospects future developments this domain.

Язык: Английский

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Recent developments and perspectives of Ti-based transition metal carbides/nitrides for photocatalytic applications: A critical review

Materials Today, Год журнала: 2024, Номер 76, С. 110 - 135

Опубликована: Июнь 11, 2024

Язык: Английский

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MXenes as Heterogeneous Thermal Catalysts: Regioselective Anti-Markovnikov Hydroamination of Terminal Alkynes with 10² h^–1 Turnover Frequencies

Journal of the American Chemical Society, Год журнала: 2025, Номер unknown

Опубликована: Янв. 20, 2025

Due to their conductive properties and optoelectronic tunability, MXenes have revolutionized the area of electrocatalysis active materials in supercapacitors. In comparison, there are only a few reports on as thermal catalysts for general organic reactions. Herein, unprecedented catalytic activity Ti3C2 MXene hydroamination alkynes is reported, overcoming limitations poor activity, lack selectivity, stability, which generally encountered solid known so far. case Ti3C2, exhibits almost complete selectivity anti-Markovnikov regioisomer, both aliphatic amines less-reactive aromatic amines. also efficiently catalyzes intramolecular hydroamination, leading formation indol heterocycles. The C-C multiple bonds reaction with atom efficiency that may form C-N from convenient reagents. maximum number sites nanosheets quantified by thermoprogrammed NH3 desorption. measured TOF values order 102 h-1, highest value being 350 h-1 1-hexyne n-butylamine. Therefore, among heterogeneous studied, its per site comparable best reported Density functional theory calculations models indicate cooperation neighboring Ti atoms mechanism. Considering compositional structural versatility MXenes, present findings open door further application other

Язык: Английский

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First-principles and machine-learning approaches for interpreting and predicting the properties of MXenes

npj 2D Materials and Applications, Год журнала: 2025, Номер 9(1)

Опубликована: Фев. 1, 2025

MXenes are a versatile family of 2D inorganic materials with applications in energy storage, shielding, sensing, and catalysis. This review highlights computational studies using density functional theory machine-learning approaches to explore their structure (stacking, functionalization, doping), properties (electronic, mechanical, magnetic), application potential. Key advances challenges critically examined, offering insights into applying research transition these from the lab practical use.

Язык: Английский

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High-performance photothermal catalytic CO2 reduction to CH4 and CO by ABO3 (A = La, Ce; B = Ni, Co, Fe) perovskite nanomaterials

Ceramics International, Год журнала: 2023, Номер 49(12), С. 20907 - 20919

Опубликована: Март 23, 2023

Язык: Английский

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Net Zero Transition: Possible Implications for Catalysis

ACS Catalysis, Год журнала: 2023, Номер 13(12), С. 7917 - 7928

Опубликована: Май 30, 2023

This Viewpoint discusses the implications of net zero energy transition on traditional chemical feedstocks and catalytic elements. While full impact upcoming changes is difficult to assess, some trends from scenarios already underway can be mapped. For example, a steady growth in electric passenger vehicles will diminish transportation-related petroleum refining output, which could then create feedstock gaps supply/demand dynamics certain critical metals. These impacts present unexpected opportunities for emerging such as biomass, sequestered CO2, recycled carbon bridge supply gaps, even within next decade. Further, metals Pd, Rh, Pt displaced automotive exhaust converter applications potentially become more available producing chemicals aviation fuels feedstocks. At same time, Co Ni, are currently considered earth abundant, face increasing demand storage thus less attractive applications. The availability carbon-free hydrogen oxygen facilitate march toward decarbonization industry. Finally, enormity assets offers possibility repurposing them process disruptions have profound future catalysis research must well-guided industrial sustainability.

Язык: Английский

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A robust sandwich structural catalyst of (Cu/CuCo-MOF)2/MXene double heterojunction with outstanding activity toward hydrogen generation

Applied Catalysis B Environment and Energy, Год журнала: 2024, Номер 358, С. 124444 - 124444

Опубликована: Июль 24, 2024

Язык: Английский

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