Trends in photocatalytic degradation of organic dye pollutants using nanoparticles: A review

Inorganic Chemistry Communications, Journal Year: 2023, Volume and Issue: 159, P. 111613 - 111613

Published: Oct. 24, 2023

Language: Английский

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MOF@graphene nanocomposites for energy and environment applications

Composites Communications, Journal Year: 2023, Volume and Issue: 45, P. 101783 - 101783

Published: Nov. 30, 2023

Language: Английский

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Double-Atom Catalysts Featuring Inverse Sandwich Structure for CO₂ Reduction Reaction: A Synergetic First-Principles and Machine Learning Investigation

ACS Catalysis, Journal Year: 2023, Volume and Issue: 13(14), P. 9616 - 9628

Published: July 7, 2023

Electrocatalytic CO2 reduction reactions (CO2RR) based on scalable and highly efficient catalysis provide an attractive strategy for reducing emissions. In this work, we combined first-principles density functional theory (DFT) machine learning (ML) to comprehensively explore the potential of double-atom catalysts (DACs) featuring inverse sandwich structure anchored defective graphene (gra) catalyze CO2RR generate C1 products. We started with five homonuclear M2⊥gra (M = Co, Ni, Rh, Ir, Pt), followed by 127 heteronuclear MM′⊥gra Pt, M′ Sc–Au). Stable DACs were screened evaluating their binding energy, formation dissolution metal atoms, as well conducting molecular dynamics simulations without solvent water molecules. Based DFT calculations, Rh2⊥gra DAC was found outperform other four Rh-based single- noninverse structures. Out DACs, 14 be stable have good catalytic performance. An ML approach adopted correlate key factors activity stability including sum radii ligand atoms (dM–M′, dM–C, dM′–C), difference electronegativity two (PM + PM′, PM – PM′), first ionization energy (IM IM′, IM IM′), electron affinity (AM AM′, AM AM′), number d-electrons (Nd). The obtained models further used predict 154 electrocatalysts out 784 possible same configuration. Overall, work not only identified promising reported but also provided insights into atomic characteristics associated high activity.

Language: Английский

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Synthesis of MXene-based single-atom catalysts for energy conversion applications

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 474, P. 145700 - 145700

Published: Sept. 1, 2023

Language: Английский

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Advances and challenges in the electrochemical reduction of carbon dioxide

Chemical Science, Journal Year: 2024, Volume and Issue: 15(21), P. 7870 - 7907

Published: Jan. 1, 2024

This review highlights the structure–activity relationship of ECO 2 RR, provides a detailed summary advanced materials by analyzing electrocatalytic applications and reaction mechanisms, discusses challenges in both devices.

Language: Английский

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MOF-based materials for electrochemical reduction of carbon dioxide

Coordination Chemistry Reviews, Journal Year: 2023, Volume and Issue: 494, P. 215333 - 215333

Published: July 28, 2023

Language: Английский

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A comprehensive review of electrochemical reduction of CO2 to methanol: Technical and design aspects

Journal of CO2 Utilization, Journal Year: 2023, Volume and Issue: 71, P. 102477 - 102477

Published: April 24, 2023

The electrochemical reduction of CO2 (ERC) is a promising utilization technology that can convert into wide variety fuels and chemicals via reactions. Among the various products be produced from ERC, methanol potential liquid product utilized as fuel an intermediate feedstock for chemical production. Recently, many researchers have shown interest in ERC process selective development production has been done both experimental studies, particularly electrocatalyst design development, analysis to overcome challenges such low solubility, selectivity, inefficient catalysts, mass transfer limitations, high overpotentials, commercialization. This review aims present progress studies on ERC. An overview conversion involving hydrogenation, photoelectrochemical first described. Then, key factors affecting electrocatalyst, electrolyte, operating conditions, are analyzed. Furthermore, modeling analyses discussed consider commercialization form methanol. Finally, suggestions future research given final section this review.

Language: Английский

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Solar energy storage to chemical: Photocatalytic CO2 reduction over pristine metal-organic frameworks with mechanistic studies

Journal of Energy Storage, Journal Year: 2023, Volume and Issue: 75, P. 109725 - 109725

Published: Nov. 19, 2023

Language: Английский

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Electronic Structure Design of Transition Metal-Based Catalysts for Electrochemical Carbon Dioxide Reduction

ACS Nano, Journal Year: 2024, Volume and Issue: 18(14), P. 9823 - 9851

Published: March 28, 2024

With the increasingly serious greenhouse effect, electrochemical carbon dioxide reduction reaction (CO2RR) has garnered widespread attention as it is capable of leveraging renewable energy to convert CO2 into value-added chemicals and fuels. However, performance CO2RR can hardly meet expectations because diverse intermediates complicated processes, necessitating exploitation highly efficient catalysts. In recent years, with advanced characterization technologies theoretical simulations, exploration catalytic mechanisms gradually deepened electronic structure catalysts their interactions intermediates, which serve a bridge facilitate deeper comprehension structure-performance relationships. Transition metal-based (TMCs), extensively applied in CO2RR, demonstrate substantial potential for further modulation, given abundance d electrons. Herein, we discuss representative feasible strategies modulate catalysts, including doping, vacancy, alloying, heterostructure, strain, phase engineering. These approaches profoundly alter inherent properties TMCs interaction thereby greatly affecting rate pathway CO2RR. It believed that rational design modulation fundamentally provide viable directions development toward conversion many other small molecules.

Language: Английский

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Ternary metal conjugated ZIF-67 coordination with Ag and Ce for the efficient Fenton-like remediation of dyes under visible light

Optical Materials, Journal Year: 2024, Volume and Issue: 150, P. 115228 - 115228

Published: March 22, 2024

Language: Английский

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