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<p>The strategic integration of metal nanoparticles into metal–organic frameworks (MOFs) is a powerful approach for designing advanced catalysts. This work describes the fate of Ag nanoparticle (AgNP) immobilized in the defective UiO-66. Defective UiO-66 (UiO-66(D)), synthesized with formic acid as a modulator, exhibits enhanced surface area, which facilitates AgNP immobilization. The AgNP in pristine UiO-66 and UiO-66(D) are predominantly surface-bound, although there is possibility of uniform distribution&#xa0;throughout&#xa0;the internal matrix especially for the UiO-66(D) framework. Computational studies reveal that defect sites in UiO-66 serve as initial nucleation sites for Ag clusters. As the cluster grows, the binding involves a synergistic combination of Ag–π and Ag–O with the pore surface structures. The AgNP@UiO-66(D) composite demonstrates potential for CO<sub>2</sub> fixation, exhibiting good catalytic activity in the cycloaddition reaction to form cyclic carbonates. This work provides an in-depth investigation on the fate of AgNP inside defective UiO-66 matrix for designing catalysts that transform CO<sub>2</sub> into valuable chemical products under mild conditions.</p>

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Understanding the interaction and stabilization of Ag nanoparticles in defective UiO-66 and their efficacy in CO2 fixation

  • 期刊论文

  • 发表日期：

    2026年3月27日

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  • Nabila Nur Agusti,
  • Thariq Makkiyya,
  • Oka Pradipta Arjasa,
  • Indriana Kartini,
  • Fajar Inggit Pambudi

摘要

The strategic integration of metal nanoparticles into metal–organic frameworks (MOFs) is a powerful approach for designing advanced catalysts. This work describes the fate of Ag nanoparticle (AgNP) immobilized in the defective UiO-66. Defective UiO-66 (UiO-66(D)), synthesized with formic acid as a modulator, exhibits enhanced surface area, which facilitates AgNP immobilization. The AgNP in pristine UiO-66 and UiO-66(D) are predominantly surface-bound, although there is possibility of uniform distribution throughout the internal matrix especially for the UiO-66(D) framework. Computational studies reveal that defect sites in UiO-66 serve as initial nucleation sites for Ag clusters. As the cluster grows, the binding involves a synergistic combination of Ag–π and Ag–O with the pore surface structures. The AgNP@UiO-66(D) composite demonstrates potential for CO2 fixation, exhibiting good catalytic activity in the cycloaddition reaction to form cyclic carbonates. This work provides an in-depth investigation on the fate of AgNP inside defective UiO-66 matrix for designing catalysts that transform CO2 into valuable chemical products under mild conditions.