Hemilabile single-atom catalysts facilitating photothermal synergetic catalysis.

Sci Bull (Beijing)

International Research Center for Renewable Energy, State Key Laboratory of Multiphase Flow, Xi'an Jiaotong University, Xi'an 710049, China; Suzhou Academy of Xi'an Jiaotong University, Suzhou 215123, China. Electronic address:

Published: June 2024

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http://dx.doi.org/10.1016/j.scib.2024.04.041DOI Listing

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Hemilabile single-atom catalysts facilitating photothermal synergetic catalysis.

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June 2024

International Research Center for Renewable Energy, State Key Laboratory of Multiphase Flow, Xi'an Jiaotong University, Xi'an 710049, China; Suzhou Academy of Xi'an Jiaotong University, Suzhou 215123, China. Electronic address:

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Dynamic evolution of the active center driven by hemilabile coordination in Cu/CeO single-atom catalyst.

Nat Commun

May 2023

Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University, Shanghai, 200433, P. R. China.

Hemilability is an important concept in homogeneous catalysis where both the reactant activation and the product formation can occur simultaneously through a reversible opening and closing of the metal-ligand coordination sphere. However, this effect has rarely been discussed in heterogeneous catalysis. Here, by employing a theoretical study on CO oxidation over substituted Cu/CeO single atom catalysts, we show that dynamic evolution of metal-support coordination can significantly change the electronic structure of the active center.

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