Nitro-aromatic compounds constitute predominant explosive materials extensively utilized in military applications and industrial blasting operations. However, the manufacturing, consumption, and decommissioning of these explosives generate significant quantities of wastewater exhibiting both ecotoxicological hazards and explosive potential. Herein, an amino-functionalized MIL-100(Fe) (AFM) catalyst demonstrating simultaneously enhanced explosive capture and degradation is developed. The synergistic interplay of electrostatic attraction and hydrogen bonding between the amino groups of AFM and nitro groups of nitro-aromatic explosive confer exceptional binding affinity. The optimized AFM exhibits a remarkable 2,4,6-trinitrotoluene (TNT) adsorption of 14.93 mg/g, which is 3.6 times of unmodified MIL-100(Fe). In photo-Fenton reactions, the optimized AFM completely degrades TNT within 30 min, and achieves a mineralization efficiency as high as 96.7 %. Moreover, the AFM exhibits excellent stability, retaining a high TNT degradation efficiency of 97.7 % after five consecutive cycles. The currently designed AFM catalyst possessing fascinating explosive affinity and high explosive mineralization efficiency is expected to advance sustainable remediation of high-risk explosive wastewater.

Valve corrosion in drinking water distribution systems (DWDS) compromises system safety by causing operational failures, water quality deterioration, and leakage. Through disassembly of failed valves, SEM/XRD analysis, simulation experiments with pipe section reactors, and electrochemical monitoring, this study elucidates the corrosion processes and failure mechanisms of gate valves in DWDS. Results indicate that ductile iron, owing to its high corrosion tendency, generates iron‑oxide scales predominantly composed of goethite (α‑FeOOH) and magnetite (Fe3O4). Scale composition and morphology vary markedly with location: stable α‑FeOOH prevails in the upper part of valve under stable conditions, whereas dense, disordered scales rich in Fe3O4, zinc hydroxycarbonate, and silicates form in the confined, anoxic gap between the gate disc and the rail groove. While galvanic corrosion is suppressed under stagnant conditions due to carbonate deposition and mass transfer limitation, self‑corrosion leads to higher corrosion current for long term. Valve failure primarily results from scale obstructing gate movement in the guide groove and corrosion‑induced weakening of the stem. To mitigate these issues, periodic gate operation is recommended to disrupt anoxic environments, accompanied by high‑flow flushing to remove accumulated scale and lubrication of the stem to reduce wear.

p-Nitrophenol (PNP), a widely used chemical intermediate, exhibits stubborn resistance to conventional oxidation treatments due to its high toxicity, electron-deficient nature, and the high stability of its aromatic ring. To address the bottlenecks of low mineralization efficiency of PNP by traditional ozonation and the limited spectral utilization of conventional PCO systems. Herein, we constructed a photocatalytic-ozone synergistic system based on perylene diimide-based organic polymers (Urea-PDI/O3/vis). Owing to the broad spectral response of the polymers, the light-responsive range of this coupled system can be extended to the near-infrared region up to 700 nm. The degradation rate of PNP in this system is 25 times higher than that in the photocatalytic system alone and 2.42 times greater than that in the ozone system alone. More importantly, the mineralization efficiency of PNP is significantly enhanced in the Urea-PDI/O3/vis, reaching a value three times higher than that of the traditional ozone system. Mechanism investigation reveals that the denitrification efficiency for PNP is comparable between the ozonation and photocatalytic-ozone systems. However, the photocatalytic-ozone process demonstrates a marked superiority in the subsequent ring cleavage and mineralization via decarboxylation of small-molecular organic acids. In contrast to the direct ozonation mechanism dominated by electrophilic and dipolar addition reactions, the Urea-PDI/O3/vis efficiently utilizes photogenerated electrons to convert ozone into hydroxyl radicals in large quantities, which enables highly efficient mineralization of PNP. This study will provide new insights into the removal of PNP in water.

Poor efficiency and selectivity hinder CO2 reduction for fuel production from sustainable energy. Herein, we report notable product selectivity control of CO2 reduction reaction (CO2RR) by a newly developed organic-semiconductor-rGO cathode film (PDPP/rGO), which effectively regulates the production of CO, CO/H-2, acetone, and methanol by photocatalysis (PC), electrocatalysis (EC), and electrophotocatalysis (EPC), respectively. Notably, EPC CO2RR produces methanol with high selectivity and Faradaic efficiency (FE > 60%) at an ultralow cell voltage of -0.16 V-RHE and visible-light irradiation (lambda > 400 nm) without any sacrificial agents or metal assistance. EPC promotes an ultralow reduction potential (-2.37 V-RHE, < -1.9 V-RHE for CO2/CO2 center dot-), ensuring continuous generation of CO2 center dot-. In situ Attenuated Total Reflection-Surface Enhanced Infrared Absorption Spectroscopy (ATR-SEIRAS) and theoretical simulations reveal that the hydrogen-bonding interactions allow better complex structures between carbon-oxygen intermediates and the amide group in PDPP, strengthening multiple-electron transfer and proton addition to reductive intermediates. This dual catalytic- and composition-based selectivity control for CO2RR into liquid fuels represents the forefront of catalytic selectivity and reductive potential control by organic semiconductors. Furthermore, the electrophotocatalytic approach to achieving an ultralow reduction potential provides a new application direction and mechanism for electrochromism based on organic semiconductors. (c) 2026 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Published by Elsevier B.V. and Science Press. All rights are reserved, including those for text and data mining. Al training, and similar technologies.

Chloride ions (Cl-) in drinking water distribution systems (DWDS) can destabilize iron pipe scales, leading to red water events. However, the mechanistic pathways by which chloride affects the long-term stability of mature, multi-layered scales remain poorly understood. This study employed a flow-through pipe reactor combined with electrochemical analyses including potentiodynamic polarization, electrochemical impedance spectroscopy, Mott-Schottky analysis and material characterization to investigate the effects of chloride on scale development and destabilization. The results reveal that chloride exhibits a more pronounced corrosion-promoting effect than sulfate during the early-stage corrosion, introducing lattice defects and promoting the formation of less stable iron oxyhydroxides (β-FeOOH). For pre-existing mature scales, chloride exposure reduces film resistance (Rf) and charge transfer resistance (Rct) while increasing interfacial capacitances (Cf, Cdl), indicating enhanced electrochemical activity and permeability. Meanwhile, a critical chloride concentration threshold (10-20 mmol/L) is identified, which triggers a transition in the scale’s semiconductor properties from protective P-type to vulnerable N-type. This shift is accompanied by a surge in donor-type point defects (oxygen vacancies), as interpreted by the Point Defect Model (PDM), and fundamentally compromises scale stability. This work established a defect-chemistry-based mechanism for chloride-induced scale destabilization, offering both fundamental insights and practical tools for proactive water quality management in DWDS.

The "black water" or "yellow water" incidents caused by manganese (Mn) deposition and release in drinking water distribution systems (DWDS) are a prominent technical challenge faced by water utilities worldwide. This study aims to systematically investigate the deposition and release behavior of Mn under varying water quality and hydraulic conditions in DWDS. Several pipe-section reactors were set up to investigate the effects of ORP, pH, Mn load in raw water, and hydraulic conditions on Mn deposition and release processes. Experimental results show that Mn oxidation rate is significantly influenced by pipe lining materials, while Mn release is jointly regulated by ORP and pH. Risk of Mn reductive release increases greatly when ORP falls below 400 mV and pH is between 7 and 8. It is proposed and verified for the first time that Mn release in DWDS is driven by an electrochemical reduction mechanism under low oxidation-reduction potential (ORP) through the simulated galvanic cell experiments. Furthermore, pipes with aged cement lining are more susceptible to Mn release under changing hydraulic conditions. Based on these experiments, this research elucidates the mechanisms governing Mn deposition and release in DWDS, providing a theoretical foundation for controlling colored water problems induced by Mn release.

The "black or yellow water" incidents caused by manganese (Mn) deposition and release in drinking water distribution systems (DWDS) are a prominent technical challenge faced by water utilities worldwide. This study aims to systematically investigate the deposition behavior and reductive release patterns of Mn under varying water quality and hydraulic conditions in actual DWDS. This study innovatively proposes that Mn release in DWDS is driven by an electrochemical reduction mechanism under low oxidation-reduction potential (ORP) through simulated galvanic cell experiments. A pipe-section reactor experimental system was established to investigate the effects of ORP, pH, Mn load in raw water, and hydraulic conditions on Mn deposition and release processes. Experimental results show that the Mn oxidation rate is significantly influenced by pipe lining materials, while Mn release is jointly regulated by ORP and pH. A risk of Mn reductive release exists when pH is between 7 and 8, and ORP falls below 400 mV. Furthermore, pipes with aged cement lining are more susceptible to Mn release under changing hydraulic conditions. Based on these experiments, this research elucidates the mechanisms governing Mn deposition and release in DWDS, providing a theoretical foundation for controlling colored water problems induced by Mn release.

Engineering the local strain field and coordination environment of Pt sites offers an effective route to regulate their electronic structure and optimize adsorption of oxygenated intermediates, thereby enabling the development of active low-Pt catalysts for future proton exchange membrane fuel cells (PEMFC). Herein, we prepare a PtCoNi medium-entropy alloy with an optimized mixing entropy of 1.07R and a low Pt content of 8.15 wt% through a one-step solvothermal route. The random incorporation of Co/Ni atoms generates continuously distributed lattice compression and anisotropic strain fields across the Pt lattice, due to the varied Pt-metal coordination environment. Theoretical calculations further reveal multicenter d-d hybridization and enhanced strain-electronic coupling, leading to a pronounced downshift of the Pt 5d band center and consequently optimizing the adsorption of oxygen reduction reaction (ORR) intermediates. As a result, the prepared PtCoNi/C (Pt content = 1.63 wt%) delivers an outstanding half-wave potential of 0.92 VRHE and a record-breaking mass activity (MA) of 2.109 A mg Pt-1 in 0.1 M HClO4, with astable electrochemically active surface area (ECSA) retention of 97.5% after successive 20,000 cycles. Finally, the PtCoNi catalyst has superior performance in PEMFC (Pmax = 1.96 W cm-2) with H2-O2 feeding, superior to that of state-of-the-art Pt/C. This work is a practical endeavor of constructing a medium-entropy alloy, offering a promising design pathway to developing exceptional low-Pt catalysts for PEMFC. (c) 2026 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. and Science Press. All rights are reserved, including those for text and data mining, AI training, and similar technologies.

Effects of secondary coordination regulations for ORR on dual-atom catalysts are clarified over fabricated CoNx + FeNy moieties with P/S-coordination in outer coordination shells of metal atoms, which modulates the electronic asymmetry of dual-metal sites and effectively boosts the ORR catalytic activity.

Fine-tuning the interfacial electronic interaction and surface reactivity of S-scheme heterojunctions is critical for advancing their photocatalytic performance. This study employs density functional theory calculations to systematically investigate the effects of transition metal (TM = Cr, Mn, Fe, Co, and Ni) doping at distinct sites of a CdS/ZnO S-scheme heterojunction: the surface (TMs), the interface (TMi), and co-doping at both sites (TMs+i). The results demonstrate that all doping configurations concurrently enhance both interfacial electron transfer and the hydrogen evolution reaction dynamics. The augmentation of electron transfer across the interface is primarily driven by TM doping at the interface, which reduces the work function of CdS and enlarges the Fermi level discrepancy with ZnO, leading to an enhancement trend of TMs+i > TMi > TMs. Conversely, the optimization of hydrogen adsorption free energy (Delta G(H*)) is chiefly governed by surface TM doping, which downshifts the p-band center of S atoms and weakens the S-H bond, resulting in an improvement trend of TMs+i > TMs > TMi. Remarkably, the co-doping configuration exhibits a pronounced synergistic effect, outperforming any single-site doping in optimizing both properties. Furthermore, a clear periodic trend is identified: the promotional effect of TM doping, from Cr to Ni, progressively diminishes for both charge separation and surface reaction, which is linked to the increasing work function and S p-band center. This work highlights the significant potential of a multi-site doping strategy for the synergistic engineering of charge transfer and surface reactions in S-scheme heterojunctions, offering valuable theoretical insights for the precise design of high-efficiency photocatalysts.

The widespread dissemination of antibiotic-resistant bacteria (ARB) and antibiotic-resistant genes (ARGs) accelerates multidrug resistance via horizontal gene transfer, threatening ecosystems and public health. Herein, a visible-light-activated FeOCl-based nonradical Fenton system was engineered to overcome inherent selectivity and reactivity constraints of conventional radical-based processes, enabling targeted, high-efficiency elimination of ARB and ARGs. This system achieved 6.07 log10 CFU/mL ARB inactivation (40 min) and 4.9 log10 copies/mL ARG degradation (60 min). Data-independent acquisition (DIA) quantitative proteomics revealed membrane disruption (K* leakage), suppressed energy metabolism, and impaired DNA repair causing irreversible ARB inactivation. Degradation pathway analysis confirmed that h* and 1O2 selectively oxidize nucleobases over phosphodiester backbones. Specifically, electrophilic addition at guanine's C8 site by h*/1O2 initiates cleavage of nitrogenous heterocycles and deamination, resulting in complete ARG elimination. Plasmid transformation assays further verified that this molecular-precision oxidation definitively impedes ARG diffusing potential in environmental matrices. This work elucidates the nonradical synergy mechanism for efficient ARB/ARG removal, establishing foundations for precision antibiotic resistance control.

The anion exchange membrane water electrolysis (AEMWE) offers a promising prospect for large-scale hydrogen electro-generation. Nevertheless, current AEMWE is still criticized by large overpotentials and poor anti-reverse current capability of the anodic oxygen evolution reaction (OER). The key challenge lies in tailoring adsorption evolution mechanism (AEM) to lattice oxygen mechanism (LOM), thereby circumventing the overpotential limitation caused by inherent scaling relationship. Here, we designed and fabricated a flexible CC-NCNTs-FeNi catalyst by integrating a hydrophobic carbon nanotube network with hydrophilic FeNi layered double hydroxides (LDH) on carbon cloth (CC), with the interface-induced formations of N-doped LDH and Fe/Ni single-atomic sites. Within lab-made AEMWE setups, the catalyst achieves unprecedented OER performance, rendering 100 mA cm-2 with an overpotential of 250 mV for 100 h. Meanwhile, interface-induced atom exchange endows the catalyst with catalytic multi-functionality, enabling a superior robustness for anti-reverse currents in on-off cycling. The in-situ characterizations and theoretical simulations collectively confirm that N-doping modulates Ni 3d band center and enhances Ni-O covalency, thus favoring a transition from AEM to LOM-dominated pathway for OER.

Enhancing the peroxymonosulfate (PMS) activation efficiency and clarifying its mechanisms remain critical challenges in environmental chemistry. This paper develops a unified metal@PDI/PMS/visible light platform by anchoring cobalt or gold sites onto a covalently linked urea-functionalized perylene diimide polymer (U-PDI). Co@PDI proceeds via a charge-transfer-driven pathway, where interfacial charge transfer promotes PMS polarization and O-O bond activation, favoring the formation of high-valent cobalt-oxo species (Co(IV)=O) and the generation of multiple radical species. In contrast, Au@PDI favors a plasmon-assisted energy transfer pathway, leading to a non-radical process dominated by 1O2. Using ciprofloxacin (CIP) as the target pollutant, Co@PDI achieved approximately 100% removal within 40 min, with a mineralization rate approximately twice that of Au@PDI. The metal@PDI catalysts also maintained good activity over five cycles and exhibited tolerance to typical matrix interference. Density functional theory (DFT) calculations further support the pathway divergence, indicating stronger PMS adsorption on Co@PDI (Eads =-2.10 eV vs.-1.83 eV) and significant O-O bond elongation (approximately 1.52 & Aring;). These results establish a metal-dependent, pathway-specific interfacial regulation strategy for controllable PMS activation.

Designing efficient S-scheme photocatalysts for simultaneous H2 evolution and organic oxidation is highly desirable for sustainable energy conversion. Herein, a novel SnS2/CdS S-scheme heterojunction loaded with transition metal single atoms (TM = Pt, Pd, Au) was constructed. Systematic density functional theory (DFT) calculations are performed to investigate the geometric structure, electronic properties, and the mechanisms of surface H adsorption and lactic acid (LA) oxidation reactions. The results reveal that in the heterojunction, electrons transfer from CdS to SnS2 through interfacial Cd-S bonds, forming a stable composite structure, while the TM single atoms are stabilized by forming TM-S bonds with surface S atoms. The incorporation of TM atoms enhances the interfacial electron transfer. Notably, the TM atoms anchored on the CdS surface effectively modulate the p-band center of neighboring S atoms, thereby weakening the S-H bond and optimizing the H adsorption-desorption equilibrium. Concurrently, those on the SnS2 surface enhance the adsorption energy of LA and reduce the energy barrier of the rate-determining step in the dehydrogenation oxidation process. This work demonstrates that the strategic placement of single atoms on different components of an S-scheme heterojunction can synergistically enhance both the reduction and oxidation half-reactions, offering profound insights for the rational design of high-performance single-atom-loaded S-scheme photocatalytic systems for cooperative H2 production and value-added chemical synthesis.

Manganese-based catalysts offer high 4e− ORR selectivity and low cost, while they suffer from insufficient intrinsic activity. Dual-atom catalysts with rational coordination engineering provide a feasible strategy to further boost electrocatalytic ORR performance. Herein, we report an impregnation–carbonization approach to construct a phosphorus-regulated asymmetric CoMn dual-atom catalyst (CoMnNPC). Unlike conventional M–N4 configuration, asymmetric CoN2P2-MnN4 dual-atom sites are unambiguously verified and anchored in defective graphitic carbon, which generates mutual electron delocalization and optimizes the adsorption of ORR intermediates. Consequently, in 0.1 M KOH electrolyte, the CoMnNPC catalyst delivers an exceptionally high onset potential of 1.02 VRHE and a half-wave potential of 0.87 VRHE with a low H2O2 production of below 3.5% and a transferred electron number of 3.97, outperforming the commercial Pt/C catalyst. The CoMnNPC catalyst also offers a peak power density of 221 mW cm−2 in Zn-air batteries, and remarkable long-term stability can be achieved in flexible all-solid-state batteries. This work provides a reliable strategy for asymmetric coordination regulation of dual-atom catalysts and a high-performance noble-metal-free material for advanced electrochemical energy conversion devices.

The rapid recombination of photogenerated charges is the primary bottleneck hindering photocatalytic hydrogen generation with graphitic carbon nitride (g-C3N4). Herein, by introducing methyl viologen (MV) into the carbon nitride framework, CN-MV-x with enhanced photoinduced charge carrier separation is fabricated. The surface chemistry and photoelectrochemical properties of CN-MV-x samples are greatly enhanced. Owing to the increased charge separation with electron extraction by doped MV, the highest hydrogen evolution rate of 1.65 mmol g-1 h-1 is achieved by the CN-MV-x photocatalyst doped with 10 mmol MV (CN-MV-10). More impressively, CN-MV-10 also shows an extraordinary electron storage ability, which powers time-delayed hydrogen production in the dark after light illumination. Further analysis indicates that this time-delayed hydrogen evolution ability is ascribed to electron accumulation in the conduction band of carbon nitride. This study provides a new route to improve photoinduced charge separation by introducing redox species.

Limited by sluggish kinetics and aggressive protonation, the hydrogen peroxide electro-synthesis via two-electron oxygen reduction in acids confronts diminished Faradaic efficiency and production rates. Here, we design and prepare Co single-atom sites (CoNxOy) at fabricated carbon edges with elaborately configured O-coordination using ball-milling and surface oxidations. Operando experimental analysis and theoretical simulations unveil the tuned electronic structure of the CoNxOy sites, leveraging the adsorption of OOH intermediates. Consequently, the asymmetrical coordination moieties hamper electron/proton transfer and preserve O-O bonds, lowering the energy barrier for H2O2 yield. Therefore, the CoNxOy sites achieve excellent H2O2 selectivity of similar to 97 % and Faraday efficiency of similar to 99 % in acidic electrolyte, overwhelming conventional CoN4 sites. Also, the assembled flow cell delivers stable H2O2 production at a concentration of 10 mmol L-1 for over 120 h, thereby enabling effective decomposition of dyes and antibiotics. This work offers insights to leverage coordination asymmetry of single-atom catalysts for oxygen reduction and related electro-catalysis.

The design and synthesis of TiO2-based heterostructures using appropriate modifiers or semiconductor sulfides represents a promising strategy for further investigation. In this study, F is introduced into TiO2, followed by the addition of Bi2S3 to construct F-TiO2/Bi2S3 nanoflower heterojunction. The photocatalytic activity of the prepared catalysts is evaluated. At a MO concentration of 10 mg/L and catalyst concentration of 0.5 g/L, the TBS-3 composite photocatalyst exhibited a remarkable catalytic ability (0.1006 min-1), removing 94.7 % of MO within 30 min, which was 25 and 5 times higher than that of Bi2S3 (0.004 min-1) and F-TiO2 (0.0216 min-1) catalysts, respectively. The impact of initial solution pH, inorganic anion, catalyst dosage, and initial MO concentration on the degradation process are examined. The results of the free radical burst experiments indicate that the primary active species involved in the MO degradation process are superoxide radical anion (center dot O2-). This work provides a reference for the design of efficient photocatalysts for water source protection and environmental treatment.

Removal of organic pollutants, heavy metal detoxification, and sustainable recovery of heavy metals are difficult with the coexistence of heavy metals and organic pollutants. In this work, bifunctional perylene diimide (PDI) photocatalyst was used to achieve simultaneous removal of organic pollutants (emerging pollutants: antibiotics, phenols, etc.) and hexavalent chromium(Cr(VI)) in wastewater. Experimental results revealed that the coexistence of organic pollutants and Cr(VI) had a mutual promotion effect. Under synergistic effect, the reaction rate constant of amoxicillin(AMX) reached 0.113 min-1, which was 32.2 times of the single pollutant system. For Cr (VI), the concentration of Cr(VI) and Cr(total) can be reduced to 0.05 and 0.018 ppb, and recover Cr with a recovery rate of 98.6 % by PDI. Research of the mechanism shows that co-existing Cr(VI) enhances the charge separation efficiency of PDI and the rate of pollutant degradation. Furthermore, the numerous carboxyl and carbonyl groups on PDI enable further enriching the Cr element.

Understanding the general properties of dissolved organic matter (DOM) is crucial for optimizing water treatment processes to remove DOM and enhancing the drinking water quality. However, the chemodiversity of DOM as a mixture of various organic chemicals in water poses significant challenges to understanding comprehensively its sources, fate and treatability during water treatment train. In this study, polarity and charge of DOM determined by the Polarity Rapid Assessment Method (PRAM) were used as two of key parameters of chemodiversity to elucidate its distribution and changing patterns in source waters and along the water treatment processes. Our evaluation suggests that the intracellular organic matter (IOM) from algal metabolism during blooms may explain the observed increase in positively charged fraction of DOM in source water. During water treatment process, coagulation and sedimentation primarily removed the negatively charged fraction of DOM, while ozonation was more effective at removing the non-polar fraction. Additionally, we investigated the retention mechanism of specific fractions by PRAM approach using model compounds such as amino acids containing specific functional groups. This revealed the structural characteristics of the different polar and charge fractions. Propane sulfonate in strong cationic exchange SPE used in PRAM electrostatically interacts with compounds containing protonated basic groups. In their deprotonated state, basic groups are retained on the cartridge via hydrogen bonds, likely due to a sufficient number of hydrogen bond donor sites. Thus, the PRAM method enhances the understanding of the sources and fate of DOM chemodiversity in drinking water and this can guide the assessment and optimization of drinking water treatment processes.