In this review published in Catal, we provide a comprehensive overview of recent advances in atomic-level interface engineering for electrocatalytic carbon dioxide reduction (CO₂RR). We highlight how precise manipulation of catalyst interfaces at the atomic scale can regulate reaction pathways, optimize catalytic microenvironments, and substantially improve activity, selectivity, and stability for the sustainable conversion of CO₂ into value-added fuels and chemicals. By establishing clear relationships between catalyst structure, reaction pathways, and catalytic performance, we aim to provide a roadmap for the rational design of next-generation CO₂RR electrocatalysts.
Key Insights
- We identify three major interface-engineering strategies: constructing asymmetric active sites with charge-density gradients, tailoring surface atomic arrangements, and regulating the interfacial reaction microenvironment to enhance catalytic performance.
- Atomic-scale active-site design through heteroatom doping, single-atom catalysts, defect engineering, and bimetallic alloying enables effective modulation of electronic structures and adsorption energies of key reaction intermediates, thereby steering product selectivity.
- Surface structure engineering, including facet control, heterostructure construction, grain-boundary regulation, step-edge design, confined architectures, and high-curvature nanostructures, offers powerful approaches to direct CO₂ reduction pathways and improve catalytic efficiency.
- Microenvironment regulation plays a critical role in CO₂RR performance. Local electric fields, hydrophobic interfaces, confined reaction spaces, and local pH control can accelerate CO₂ activation, stabilize reaction intermediates, and suppress competing hydrogen evolution reactions.
- Material-specific advances demonstrate that copper-based catalysts remain among the most promising platforms for generating multi-carbon (C₂+) products, while bismuth-, tin-, and indium-based catalysts exhibit exceptional selectivity toward formate production.
- Recent studies have achieved near-unity Faradaic efficiencies for selected target products through precisely engineered catalyst interfaces, highlighting the effectiveness of atomic-level catalyst design strategies.
- The integration of operando spectroscopy, atomic-resolution microscopy, theoretical simulations, and artificial intelligence-assisted catalyst design is providing unprecedented insights into reaction mechanisms and accelerating catalyst discovery.
Significance of This Work
In this review, we demonstrate that atomic-level interface engineering has emerged as one of the most powerful approaches for overcoming long-standing challenges in CO₂ electroreduction. By simultaneously regulating active sites, surface structures, and local reaction microenvironments, significantly enhanced catalytic activity, product selectivity, and operational stability can be achieved. Looking forward, we believe that the combination of atomic-precision manufacturing, advanced in situ characterization techniques, and AI-driven catalyst design will enable the development of highly efficient CO₂RR systems for industrial-scale carbon utilization and sustainable energy conversion.
Authors & Affiliations
Youzeng Li¹, Huan Wang², and Ke Chen¹**
¹ Center for the Physics of Low-Dimensional Materials, Henan Key Laboratory of Quantum Materials and Quantum Energy, School of Future Technology, Henan University, Kaifeng 475004, China.
² Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), College of Chemistry, Renewable Energy Conversion and Storage Center (RECAST), Nankai University, Tianjin 300071, China.
Corresponding Authors
Huan Wang*
Email: huan.wang0520@nankai.edu.cn
Ke Chen*
Email: kchen@henu.edu.cn
How to Cite This Article
Li, Y., Wang, H. & Chen, K. Engineering atomic-level interface for electrocatalytic CO2 reduction. Catal 2, 19 (2026). https://doi.org/10.1007/s44422-026-00032-y