Next-Generation Cu-MOF-based electrocatalysts for CO2reduction: Bridging mechanistic insights and rational design


Abid H.M.W. Balanay M.P.
December 2025Elsevier Ltd

Carbon Capture Science and Technology
2025#17

The electrochemical reduction of carbon dioxide (CO2RR) represents a promising pathway toward sustainable and carbon-neutral production of fuels and chemicals. Among various electrocatalysts, copper-based metal–organic frameworks (Cu-MOFs) have emerged as a highly versatile class of materials. This review provides a comprehensive overview of Cu-MOF-based electrocatalysts, with a particular focus on controlling rate and product selectivity toward C1(CO, HCOOH, CH4, CH3OH) and C2(C2H4, C2H5OH) compounds. We critically examine how operando/DFT informed factors such as metal-ligand coordination, framework topology, and electronic structure influence key mechanistic steps of CO2RR. Persistent challenges such as low intrinsic electrical conductivity, structural instability, and insufficient selectivity toward multicarbon products are thoroughly examined. This review is distinctive in connecting fundamental mechanistic pathways of CO2RR with material design, highlighting how π-conjugated linkers, heteroatom doping, in situ reconstruction and derivatives, as well as hydrophobic surface engineering can be harnessed to optimize activity, selectivity and stability. Particular attention is given to operando and in situ characterization techniques. Finally, we propose a future roadmap that integrates band structure engineering, development of bimetallic and multi-functional active sites, and implementation of standardized testing protocols. By bridging mechanistic understanding with rational material design, this review aims to accelerate the development of high-performance, durable, and scalable Cu-MOF-based electrocatalysts for efficient CO₂ reduction.

Carbon dioxide reduction , Copper metal-organic frameworks , Electrocatalysis , Multicarbon products , Operando characterization , Structure–activity relationship

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Chemistry Department, Nazarbayev University, 53 Kabanbay Batyr Ave., Astana, 010000, Kazakhstan
National Laboratory Astana, Nazarbayev University, 53 Kabanbay Batyr Ave., Astana, 010000, Kazakhstan

Chemistry Department
National Laboratory Astana

10 лет помогаем публиковать статьи Международный издатель

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