Nanoporous Metal/Covalent Organic Framework-Based Electrocatalysts for Water Splitting

ACS Applied Nano Materials, Год журнала: 2024, Номер 7(8), С. 8424 - 8444

Опубликована: Апрель 18, 2024

In today's technological era, the increased consumption of fossil fuels has taken a severe toll on environment. response to this, researchers are actively pursuing develop efficient methods such as water splitting obtain cleaner fuel and mitigate adverse effects However, reactions involved in this process sluggish. order enhance reaction rate, scientists have been exploring catalysts with long-term durability stability ability facilitate kinetics oxygen evolution (OER) hydrogen (HER). Furthermore, due instability, high cost, scarcity noble-metal-based catalysts, shifted their focus nanoporous-based metal–organic framework (MOF) covalent organic (COF) which not only offer enhanced but also contribute conductivity, crucial factor for materials used water-splitting processes. Certain MOFs found surpass platinum- iridium-based catalysis. COFs OER HER large surface area, porosity, excellent electrical establishing them valuable electrocatalysts diverse applications. This Review provides comprehensive investigation based COFs, encompassing classification synthetic pathways, special emphasis HER/OER performance. It delves into intricate aspects structure–property correlations nanostructure engineering, offering understanding these context electrocatalysis. Moreover, some exhibit notable efficiency while others demonstrate proficiency HER, showcases versatile electrocatalytic capabilities. Additionally, sheds light future challenges confronting engages discourse potential solutions.

Язык: Английский

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Engineering TM–N₂@C₁₅N₅S₃H₅-Based Covalent-Organic Frameworks for Enhanced Water-Splitting and Oxygen Reduction Reactions: A Constant Potential and Feature Coevaluation Approach

Langmuir, Год журнала: 2025, Номер unknown

Опубликована: Март 11, 2025

The development of highly active metal-based single-atom catalysts (SACs) is crucial for energy conversion and storage, offering optimized atom utilization high catalytic activity, with bifunctional SACs hydrogen evolution (HER) oxygen evolution/reduction (OER/ORR) reactions providing greater efficiency cost-effectiveness than monofunctional catalysts, making them scientifically economically valuable. By integrating density functional theory machine learning methods, we systematically evaluated the potential TM–N2@C15N5S3H5 monolayers as efficient HER/OER/ORR revealing that 27 TM atoms remain stable on N2@C15N5S3H5 a TM–N2 coordination environment. Rh–N2@C15N5S3H5 outperforms Pt in HER, while drives both HER OER, Ni–N2@C15N5S3H5 catalyzes OER ORR, catalysts. Comparative activity analysis reveals Ni-d orbitals interact O-p orbitals, pairing up electrons from antibonding states into downward bonding thus fitting OH* adsorption enhancing performance. We further examined pH applied effects OER/ORR performance monolayers, show enhanced acidic conditions, excelling ORR under alkaline conditions conditions. Moreover, techniques were to explore correlation between range structural atomic properties.

Язык: Английский

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Single – atom Fe/N-embedded graphdiyne as catalysts for hydrogen evolution reaction: A DFT approach

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 130, С. 402 - 410

Опубликована: Апрель 27, 2025

Язык: Английский

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Activation of efficient hydrogen evolution on two-dimensional Kagome structured perthiolated coronene (PTC) metal-organic frameworks (MOFs): A first-principles study

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 100, С. 191 - 200

Опубликована: Дек. 23, 2024

Язык: Английский

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