Phase-interface-anchored cadmium single-atom catalysts for efficient methanol steam reforming

Shunan Zhang, Haozhi Zhou, Zilong Shao, Baohuan Wei, Zhen Hu, Hao Liang, Ruonan Zhang, Xiaofang Liu, Hu Luo, Lin Xia, Yuhan Sun and Hui Wang ()
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Shunan Zhang: ShanghaiTech University
Haozhi Zhou: ShanghaiTech University
Zilong Shao: Chinese Academy of Sciences
Baohuan Wei: Shanghai Institute of Clean Technology
Zhen Hu: Shanghai Institute of Clean Technology
Hao Liang: ShanghaiTech University
Ruonan Zhang: ShanghaiTech University
Xiaofang Liu: Chinese Academy of Sciences
Hu Luo: Chinese Academy of Sciences
Lin Xia: Chinese Academy of Sciences
Yuhan Sun: ShanghaiTech University
Hui Wang: ShanghaiTech University

Nature Communications, 2025, vol. 16, issue 1, 1-12

Abstract: Abstract Employing interface engineering to design innovative single-atom catalysts (SACs) for effective methanol steam reforming (MSR) presents an attractive yet formidable challenge. Here, we report phase-interface confined Cd/P25 SACs, where Cd atoms are stably anchored at the phase interface between anatase (101) and rutile (110) facets. The Cd-O-Ti phase interface sites formed exhibit asymmetric geometric and electronic properties that enable 100% methanol conversion, a low CO concentration (~0.1 mol%) in the effluent gas, and sustained stability exceeding 150 h. The H2 production rate at these interface sites is approximately 15-fold and 8-fold higher than that of anatase and rutile surface sites, respectively. Enhancing the phase interface density through atmosphere pretreatment can further increase the H2 production rate by an additional 11%. Furthermore, these powder SACs can be 3D printed into kilogram-scale monolithic catalysts, advancing practical in-situ hydrogen generation applications.

Date: 2025
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DOI: 10.1038/s41467-025-63060-7

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