Covalent organic and metal organic frameworks based single atom catalysts for valorisation of CO2 to value added chemicals

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15640%2F25%3A73632371" target="_blank" >RIV/61989592:15640/25:73632371 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11320/25:10503829 RIV/61989100:27640/25:10258420

Výsledek na webu

<a href="https://pubs.rsc.org/en/content/articlelanding/2025/ee/d5ee02702k" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2025/ee/d5ee02702k</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d5ee02702k" target="_blank" >10.1039/d5ee02702k</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Covalent organic and metal organic frameworks based single atom catalysts for valorisation of CO2 to value added chemicals

Popis výsledku v původním jazyce

Amidst escalating global concerns over rising atmospheric CO2 levels, the capture and effective utilization of C1 and C2+ sources are crucial not only for advancing a sustainable society but also for economically viable chemical synthesis. CO2 valorisation as a chemical feedstock has garnered significant attention, driving the development of diverse catalytic systems and reaction pathways. Among them, single-atom catalysts (SACs) have emerged as a transformative class of materials owing to their maximized atom efficiency, well-defined active sites, and tunable electronic structures, enabling high catalytic selectivity and activity. When hosted on covalent-organic frameworks (COFs) and metal-organic frameworks (MOFs), SACs benefit from the structural regularity, high surface area, and chemical modularity of these porous crystalline scaffolds, further enhancing their catalytic performance and stability. This review provides an in-depth discussion of COF and MOF derived SACs for CO2 valorisation through electrochemical, photochemical, and thermochemical approaches. We have explored the key factors that influence the performance of the CO2 reduction reaction (CO2RR) to enhance both selectivity and efficiency. In addition to catalyst preparation and synthetic applications, we provide an in-depth analysis of the mechanistic aspects and theoretical simulations of the COF and MOF SACs based CO2 utilization. We explore the role of machine learning models in advancing SACs based CO2 valorisation. We also identify key challenges including SAC agglomeration, mechanistic ambiguity, selectivity control and limited long term operational stability, while discussing future perspectives (such as electronic structure tuning, multi atom site design, and machine learning-assisted catalyst discovery) in this field of broad scientific, technological and societal interest.

Název v anglickém jazyce

Covalent organic and metal organic frameworks based single atom catalysts for valorisation of CO2 to value added chemicals

Popis výsledku anglicky

Amidst escalating global concerns over rising atmospheric CO2 levels, the capture and effective utilization of C1 and C2+ sources are crucial not only for advancing a sustainable society but also for economically viable chemical synthesis. CO2 valorisation as a chemical feedstock has garnered significant attention, driving the development of diverse catalytic systems and reaction pathways. Among them, single-atom catalysts (SACs) have emerged as a transformative class of materials owing to their maximized atom efficiency, well-defined active sites, and tunable electronic structures, enabling high catalytic selectivity and activity. When hosted on covalent-organic frameworks (COFs) and metal-organic frameworks (MOFs), SACs benefit from the structural regularity, high surface area, and chemical modularity of these porous crystalline scaffolds, further enhancing their catalytic performance and stability. This review provides an in-depth discussion of COF and MOF derived SACs for CO2 valorisation through electrochemical, photochemical, and thermochemical approaches. We have explored the key factors that influence the performance of the CO2 reduction reaction (CO2RR) to enhance both selectivity and efficiency. In addition to catalyst preparation and synthetic applications, we provide an in-depth analysis of the mechanistic aspects and theoretical simulations of the COF and MOF SACs based CO2 utilization. We explore the role of machine learning models in advancing SACs based CO2 valorisation. We also identify key challenges including SAC agglomeration, mechanistic ambiguity, selectivity control and limited long term operational stability, while discussing future perspectives (such as electronic structure tuning, multi atom site design, and machine learning-assisted catalyst discovery) in this field of broad scientific, technological and societal interest.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

21001 - Nano-materials (production and properties)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Energy &amp; Environmental Science

ISSN

1754-5692

e-ISSN

1754-5706

Svazek periodika

18

Číslo periodika v rámci svazku

22

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

81

Strana od-do

"9625–9982"

Kód UT WoS článku

001556337300001

EID výsledku v databázi Scopus

2-s2.0-105018753179