Intrinsic strain of defect sites steering chlorination reaction for water purification

Yinqiao Zhang, Mohan Chen, Xuanyu He, Erzhuo Zhao, Hao Liang, Jingge Shang, Kai Liu, Jianqiu Chen (), Sijin Zuo () and Minghua Zhou
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Yinqiao Zhang: China Pharmaceutical University
Mohan Chen: China Pharmaceutical University
Xuanyu He: China Pharmaceutical University
Erzhuo Zhao: Tsinghua University
Hao Liang: China Pharmaceutical University
Jingge Shang: China Pharmaceutical University
Kai Liu: Westlake University
Jianqiu Chen: China Pharmaceutical University
Sijin Zuo: China Pharmaceutical University
Minghua Zhou: Nankai University

Nature Communications, 2025, vol. 16, issue 1, 1-9

Abstract: Abstract Carbon nanotube (CNT)–based heterogeneous advanced oxidation processes (AOPs) used for water purification have been exploited for several decades. Many strategies for modifying CNTs have been utilized to improve their catalytic performance in remediation processes. However, the strain fields of the intrinsic defect sites on CNT steering AOPs (such as chlorination) have not yet been reported. Here, we explored the strained defect sites for steering the chlorination process for water purification. The strained defect sites with the elongated sp2 hybridized C–C bonds boost electronic reactivity with the chlorine molecules via the initial Yeager–type adsorption. As a result, the reactive species in chlorination can be regulated on demand, such as the ratio of high–selectivity ClO• ranging from 38.8% in conventional defect–based systems to 87.5% in our strain–dominated process, which results in the generation of harmless intermediates and even deep mineralization during 2,4–DCP abatement. This work highlights the role that strain fields have on controlling the extent of chlorination reactions.

Date: 2025
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DOI: 10.1038/s41467-025-57841-3

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