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Electronic Structure Modulation in Covalent Organic Frameworks through Ethynyl Positioning for Enhanced

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|February 10, 2026
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Framework-embedded ethynyl groups in covalent organic frameworks (COFs) significantly boost iodine capture capacity. This design principle offers superior performance for radioactive iodine removal under industrial conditions.

Keywords:
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Area of Science:

  • Materials Science
  • Adsorption Science
  • Environmental Chemistry

Background:

  • Iodine capture from industrial emissions is challenging.
  • Covalent organic frameworks (COFs) with ethynyl groups show promise for iodine adsorption.
  • The positioning of ethynyl groups (embedded vs. pendant) in COFs impacts performance.

Purpose of the Study:

  • To investigate the effect of ethynyl group positioning in COFs on iodine adsorption.
  • To synthesize and characterize framework-embedded ethynyl-COF (TPEB-TAPB-COF), pore-pendant ethynyl-COF (BPO-TAPB-COF), and a non-ethynyl COF (TFPB-TAPB-COF).
  • To evaluate iodine capture performance under saturated vapor and simulated industrial conditions.

Main Methods:

  • Synthesis of three distinct COFs with varying ethynyl group configurations.
  • Iodine adsorption capacity measurement under saturated iodine vapor.
  • Iodine adsorption testing under simulated industrial conditions (150 °C, 150 ppmv I2).

Main Results:

  • TPEB-TAPB-COF (framework-embedded) achieved a high iodine capture capacity of 8.65 g/g under saturated conditions.
  • Pore-pendant ethynyl groups in BPO-TAPB-COF showed reduced capacity due to limited electron delocalization.
  • TPEB-TAPB-COF exhibited excellent performance (0.493 g/g) under simulated industrial conditions, outperforming most porous materials.

Conclusions:

  • Framework-embedded ethynyl groups enhance electron delocalization, leading to superior iodine adsorption in COFs.
  • The positioning of ethynyl groups is critical for optimizing COF performance in iodine capture.
  • This study presents a new design strategy for developing advanced radioactive iodine capture materials.