Capture of single Ag atoms through high-temperature-induced crystal plane reconstruction

Jiaxin Li, Kai Li, Zhao Li, Chunxue Wang, Yifei Liang, Yatong Pang, Jinzhu Ma (), Fei Wang (), Ping Ning and Hong He
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Jiaxin Li: Kunming University of Science and Technology
Kai Li: Kunming University of Science and Technology
Zhao Li: Kunming University of Science and Technology
Chunxue Wang: Kunming University of Science and Technology
Yifei Liang: Kunming University of Science and Technology
Yatong Pang: Kunming University of Science and Technology
Jinzhu Ma: Chinese Academy of Sciences
Fei Wang: Kunming University of Science and Technology
Ping Ning: Kunming University of Science and Technology
Hong He: Chinese Academy of Sciences

Nature Communications, 2024, vol. 15, issue 1, 1-12

Abstract: Abstract The “terminal hydroxyl group anchoring mechanism” has been studied on metal oxides (Al2O3, CeO2) as well as a variety of noble and transition metals (Ag, Pt, Pd, Cu, Ni, Fe, Mn, and Co) in a number of generalized studies, but there is still a gap in how to regulate the content of terminal hydroxyl groups to influence the dispersion of the active species and thus to achieve optimal catalytic performance. Herein, we utilized AlOOH as a precursor for γ-Al2O3 and induced the transformation of the exposed crystal face of γ-Al2O3 from (110) to (100) by controlling the calcination temperature to generate more terminal hydroxyl groups to anchor Ag species. Experimental results combined with AIMD and DFT show that temperature can drive the atomic rearrangement on the (110) crystal face, thereby forming a structure similar to the atomic arrangement of the (100) crystal face. This resulted in the formation of more terminal hydroxyl groups during the high-temperature calcination of the support (Al-900), which can capture Ag species to form single-atom dispersions, and ultimately develop a stable and efficient single-atom Ag-based catalyst.

Date: 2024
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DOI: 10.1038/s41467-024-47836-x

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