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Edge-confined Pt single atoms on 2D-MoS2 nanosheets with a synergetic mechanism for CO2 conversion
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DOI：10.1016/j.jechem.2026.02.026.png)
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Abstract
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Single-atom catalysts (SACs) with a two-dimensional (2D) material as the support offer peculiar active sites at edges and in planes, which differ significantly in their chemical environments and consequently in their catalytic performances in reactions. Herein, we report that Pt single atoms anchored at the edges of 2D MoS2 nanosheets deliver dramatically high activity for CO2 hydrogenation to CO, in contrast to Pt single atoms as well as their aggregations of 2D-rafts on the in-plane MoS2 showing inferior activity. By a combination of experimental and theoretical studies, it was found that the activation of CO2 was significantly facilitated on the Pt single atoms with the synergetic effect of its neighboring Mo at the edges, which readily dissociates into gaseous CO with a low energy barrier. Pt, which is isolated by the Scoordinated surroundings on the in-planes, is inert toward CO2 adsorption and activation, thus leading to poor activity. This research reveals the close association between the catalytic performance of SACs with their chemical environments, and provides insights into the mechanism modulated by the synergetic effect between single-atom active sites and the support. (c) 2026 Published by Elsevier B.V. and Science Press on behalf of Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences.
Keywords:
Single atom catalysis
CO 2 hydrogenation
Pt
MoS2
At edge
In-plane
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