The generation of Fe(II) from Fe(III) is the rate-limiting step in the heterogeneous Fenton reaction, and accelerating this step is critical for enhancing the reaction efficiency and also the subject of extensive studies. In this work, the oxidized multi-walled carbon nanotubes (CNTs) were coupled with ferrihydrite (Fh) to synthesize novel and highly efficient heterogeneous Fenton catalysts (CNTs/Fh). Interestingly, the calculated apparent rate constants by 3%CNTs/Fh could reach ∼7.1 times as high as that by Fh, well in agreement with the accelerated decomposition rate of H₂O₂, as well as the enhanced generation rate of Fe(II) and hydroxyl radicals in the CNTs/Fh system. The density functional theory calculations and the cyclic voltammograms curves both well indicated that the Fe(III)/Fe(II) redox cycling on CNTs/Fh could be significantly enhanced during the Fenton reaction, from both dynamic (accelerating the electron transfer from H₂O₂ to Fh) and thermodynamic (lowering Fe(III)/Fe(II) redox potential) aspects.

由Fe（III）生成Fe（II）是非均相Fenton反应中的限速步骤，加速该步骤对于提高反应效率至关重要，也是广泛研究的主题。在这项工作中，将氧化的多壁碳纳米管（CNT）与三水铁矿（Fh）耦合，以合成新型高效的非均相Fenton催化剂（CNTs / Fh）。有趣的是，以3％CNTs / Fh计算的表观速率常数可以达到Fh的约7.1倍，这与H ₂ O ₂的加速分解速率非常吻合，以及CNTs / Fh系统中Fe（II）和羟基自由基的生成速率提高。密度泛函理论计算和循环伏安曲线均很好地表明，在Fenton反应过程中，动态（加速H ₂的电子转移）可显着增强CNTs / Fh上的Fe（III）/ Fe（II）氧化还原循环。O ₂至Fh）和热力学（降低Fe（III）/ Fe（II）氧化还原电势）方面。