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In this study, we introduce a highly effective non-metallic iodine single-atom catalyst (SAC), referred to as I-NC, which is strategically confined within a nitrogen-doped carbon (NC) scaffold. This configuration features a distinctive C-I coordination that optimizes the electronic structure of the nitrogen-adjacent carbon sites. As a result, this arrangement enhances electron transfer from peroxymonosulfate (PMS) to the active sites, particularly the electron-deficient carbon. This electron transfer is followed by a deprotonation process that generates the peroxymonosulfate radical (SO5•−). Subsequently, the SO5•− radical undergoes a disproportionation reaction, leading to the production of singlet oxygen (1O2). Furthermore, the energy barrier for the rate-limiting step of SO5•− generation in I-NC is significantly lower at 1.45 eV, compared to 1.65 eV in the NC scaffold. This reduction in energy barrier effectively overcomes kinetic obstacles, thereby facilitating an enhanced generation of 1O2. Consequently, the I-NC catalyst exhibits remarkable catalytic efficiency and unmatched reactivity for PMS activation. This leads to a significantly accelerated degradation of pollutants, evidenced by a relatively high observed kinetic rate constant (kobs ~ 0.436 min−1) compared to other metallic SACs. This study offers valuable insights into the rational design of effective non-metallic SACs, showcasing their promising potential for Fenton-like reactions in water treatment applications. Electronic structure modulation of active sites is important for Fenton-like catalysis. A non-metallic iodine single-atom catalyst with C-I coordination is reported here, which can effectively activate peroxymonosulfate into 1O2 for water treatment. [ABSTRACT FROM AUTHOR]

Ru as a cocatalyst has attracted wide attention as a substitute for Pt precious metal. However, the strong interaction between Ru and H atoms reduces the efficiency of hydrogen (H2) desorption and slows the overall hydrogen evolution reaction (HER) efficiency. How to further improve the efficiency of Ru‐based cocatalyst is challenging. Herein, single‐atom Co‐ultrafine RuOx clusters codecorated TiO2 nanosheets for photocatalytic HER are synthesized using a simple hydrothermal–calcination method. Experiments and theoretical calculations demonstrate that Co atoms can serve as a specific electronic medium, promoting electron enrichment at RuOx, thereby enhancing the adsorption of H+. Moreover, the electronic state of the interaction between adjacent Co atoms and RuOx is conducive to the desorption of H2. As a result, the proposed photocatalyst system gives a classy photocatalytic HER performance. The hydrogen production rate at stationary point reaches up to 20.20 mmol g−1 h−1, and the apparent quantum yield at 365 nm is 86.5%. It is worth noting that the hydrogen production rate in seawater is as high as 9.83 mmol g−1 h−1. This work offers precise guidance to design catalysts for efficient photocatalytic H2 production from the in‐depth understanding of the electronic coupling effect of coupling active sites. [ABSTRACT FROM AUTHOR]