Nanoscale Horizons is a leading journal for the publication of exceptionally high-quality, innovative nanoscience and nanotechnology. To celebrate the excellent articles that are published in the journal, we asked some of our authors to discuss their research in more detail.
In this post, we hear from Yimeng Sun, Lin Tao, Yaqiong Su and Baigang An as they discuss their recent article, ‘Emerging two-dimensional supported atomic and cluster catalysts for CO2 electroreduction‘.
An introduction from the authors
The electrocatalytic carbon dioxide reduction reaction (CO2RR) has emerged as a promising approach for transforming CO2 into value-added chemicals and fuels using renewable electricity. Among the diverse catalyst platforms explored to date, two-dimensional supported catalysts have attracted considerable attention due to their tunable electronic structures, abundant anchoring sites, and well-defined active centers.
Although single-atom catalysts have demonstrated remarkable activity and selectivity for CO2RR, growing evidence suggests that catalytic performance is governed not only by the nature of the active site but also by the number and spatial arrangement of neighboring metal centers. Expanding from isolated single atoms to double atoms, three-atom ensembles, and metal clusters creates new opportunities to tailor adsorption energetics, charge redistribution, and reaction pathways, ultimately enabling more precise control over catalytic activity and product selectivity.
In this review, we examine recent advances in two-dimensional supported catalysts for CO2RR, with a particular focus on how active-site complexity shapes catalytic behavior. By bringing together experimental progress and insights from density functional theory (DFT), we highlight the structure–activity relationships that govern the formation of key C1 products and discuss how these insights can guide the rational design of next-generation CO2RR catalysts.
Highlights of this study
- We provide a comprehensive comparison of single-atom, double-atom, three-atom, and cluster-based active centers supported on two-dimensional materials.
- We discuss how the number and geometric arrangement of active sites influence CO2 activation, reaction intermediate stabilization, and product selectivity.
- We highlight the critical role of density functional theory in elucidating reaction mechanisms and identifying key descriptors for catalytic performance.
- We summarize emerging structure–activity relationships that link atomic-scale catalyst architectures to CO2RR activity and selectivity.
Next steps
Future research will increasingly focus on understanding more complex active-site architectures and their dynamic evolution under operating conditions. While significant progress has been made in optimizing activity and selectivity, the thermodynamic stability of multi-atom sites and metal clusters remains an important yet often overlooked challenge. Structural reconstruction, aggregation, or dissolution during electrochemical operation can substantially alter catalytic behavior and may lead to deviations from predictions based on static theoretical models. Bridging the gap between idealized computational models and experimentally accessible catalysts therefore represents a critical direction for the field. Advances in operando characterization techniques, combined with increasingly sophisticated theoretical simulations, will be essential for capturing catalyst evolution in real time and establishing more reliable design principles for efficient, selective, and durable CO2RR catalysts.
Meet the authors
Emerging two-dimensional supported atomic and cluster catalysts for CO2 electroreduction
Yimeng Sun, Lin Tao, Yaqiong Su, Davoud Dastan; Han Zhang, Hongwei Zhao, Lixiang Li and Baigang An
Nanoscale Horiz. (2026) 11 (5): 1239–1279. DOI: 10.1039/d5nh00710k



















