Developing a β-cyclodextrin modified nanoconfined channels catalyst for efficient activation of peroxymonosulfate: Enhancing non-radical pathways and electron transfer

This study innovatively constructed tunable-pore nanoconfined channel catalysts (NCC-x, x = 0.75, 1.5, 3) to establish structure-activity relationships between channel confinement and non-radical pathway enhancement. Specifically, confined catalysts with different average pore sizes were prepared by varying the amount of β-cyclodextrin (β-CD) added (0.75–3 g). The smallest pore size (4.48 nm) catalyst, NCC-1.5, achieved nearly 100 % removal of 2,4,6-trichlorophenol (2,4,6-TCP) within 4 min, with a 5.1-fold increase in the reaction kinetic constant (0.92 min −1 ). Meanwhile, it exhibited the highest intensity of 1 O 2 generation and electron transfer capability. Density functional theory (DFT) calculations revealed strengthened PMS adsorption (-10.272 eV) and charge transfer (0.733 e) in confined channels, with preferential S-O bond cleavage promoting 1 O 2 generation. This work identifies confined channel structure modulation as an important factor in regulating catalytic performance. These findings provide new insights into the structural design of nanoconfined channels catalysts and enriches the organic micropollutant management strategy. • Nanoconfined channels catalysts with tunable pore size are synthesized by β-CD modification. • The smallest pore size catalyst NCC-1.5 exhibits the highest catalytic degradation capability. • Pore size modulation of confined channels enhances non-radical pathways and electron transfer . • DFT calculations elucidate the mechanism of PMS activation in confined channels.