Lanthanide single-atom catalysts for efficient CO2-to-CO electroreduction

Qiyou Wang, Tao Luo, Xueying Cao, Yujie Gong, Yuxiang Liu, Yusen Xiao, Hongmei Li, Franz Gröbmeyer, Ying-Rui Lu, Ting-Shan Chan, Chao Ma, Kang Liu, Junwei Fu, Shiguo Zhang, Changxu Liu, Zhang Lin, Liyuan Chai, Emiliano Cortes () and Min Liu ()
Additional contact information
Qiyou Wang: Central South University
Tao Luo: Central South University
Xueying Cao: Linyi University
Yujie Gong: University of South China
Yuxiang Liu: Central South University
Yusen Xiao: Central South University
Hongmei Li: Central South University
Franz Gröbmeyer: Ludwig-Maximilians-Universität (LMU)
Ying-Rui Lu: 300
Ting-Shan Chan: 300
Chao Ma: Hunan University
Kang Liu: Central South University
Junwei Fu: Central South University
Shiguo Zhang: Hunan University
Changxu Liu: University of Exeter
Zhang Lin: Central South University
Liyuan Chai: Central South University
Emiliano Cortes: Ludwig-Maximilians-Universität (LMU)
Min Liu: Central South University

Nature Communications, 2025, vol. 16, issue 1, 1-10

Abstract: Abstract Single-atom catalysts (SACs) have received increasing attention due to their 100% atomic utilization efficiency. The electrochemical CO2 reduction reaction (CO2RR) to CO using SAC offers a promising approach for CO2 utilization, but achieving facile CO2 adsorption and CO desorption remains challenging for traditional SACs. Instead of singling out specific atoms, we propose a strategy utilizing atoms from the entire lanthanide (Ln) group to facilitate the CO2RR. Density functional theory calculations, operando spectroscopy, and X-ray absorption spectroscopy elucidate the bridging adsorption mechanism for a representative erbium (Er) single-atom catalyst. As a result, we realize a series of Ln SACs spanning 14 elements that exhibit CO Faradaic efficiencies exceeding 90%. The Er catalyst achieves a high turnover frequency of ~130,000 h−1 at 500 mA cm−2. Moreover, 34.7% full-cell energy efficiency and 70.4% single-pass CO2 conversion efficiency are obtained at 200 mA cm−2 with acidic electrolyte. This catalytic platform leverages the collective potential of the lanthanide group, introducing new possibilities for efficient CO2-to-CO conversion and beyond through the exploration of unique bonding motifs in single-atom catalysts.

Date: 2025
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DOI: 10.1038/s41467-025-57464-8

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