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Verified CAS / Academic Author26 Decoded Studies

Prof. Chen Wei

Shenzhen University of Technology, School of New Materials and New Energy

Co-Affiliations:Soochow UniversityCollege of Chemistry, Chemical Engineering and Materials Science, Soochow UniversityTsinghua Shenzhen International Graduate School, Shenzhen, ChinaSchool of Energy and Environmental Engineering, Hebei University of TechnologyChangsha Natural Resources Comprehensive Survey Center, China Geological Survey, Changsha, 410600, ChinaSchool of Metallurgy and Environment, Central South University, Changsha 410083, ChinaState Key Laboratory of Pollution Control and Resource Reuse, School of Environment, Nanjing UniversityKey Laboratory of Environmental Biology and Pollution Control (Ministry of Education), College of Environmental Science and Engineering, Hunan UniversitySchool of the Environment, Nanjing University, Nanjing 210046, ChinaFujian Normal UniversityWuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology

Research Publications & English Decoded Briefs

Showing 26 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4391-5

Simultaneous Modulation of Interfacial Dipole and Film Kinetics via Self-Assembled Monolayers for Low-Energy-Loss Organic Photovoltaics

Self-assembled monolayers (SAMs) enable precise tuning of the ITO/active layer interfacial dipole, yet their impact on the crystallization kinetics of the overlying active layer remains poorly understood, limiting their potential in high-efficiency organic solar cells. This study introduces THPC, a self-assembling material with an extended carbazole core and heteroatom substitution, as a hole transport layer (HTL). Unlike the hydrophilic PEDOT:PSS, THPC exhibits low surface energy, providing a favorable template that extends the film formation kinetics of the PM6:L8-BO-X blend by nearly 1.4 times, mitigating the explosive nucleation prevalent in PM6-based active layers. This promotes a highly ordered fibrous morphology and enhances vertical phase separation. The deep work function of THPC (5.32 eV) increases the built-in potential, reduces interfacial trap density, and facilitates charge extraction. Consequently, non-radiative recombination loss decreases from 0.243 eV to 0.227 eV, and the open-circuit voltage rises from 0.866 V to 0.883 V, yielding a power conversion efficiency (PCE) of 20.19%, outperforming the PEDOT:PSS control (18.67%). This finding is confirmed across multiple Y-series acceptors, all approaching 20% PCE. Notably, the D18:L8-BO system achieves a PCE of 20.55%, demonstrating broad applicability.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4494-9

Silver Disorder Enables Thermal Insulation in Both Crystalline and Amorphous Ag26I18W4O16

Superionic conductors exhibit high cation mobility arising from weak binding and continuous transport pathways, atomistically characterized by extensive structural disorder and partial occupancy akin to amorphization. This disorder, whether confined to a cation sublattice or extended to full amorphization, strongly impedes lattice thermal transport, rendering these materials intrinsically ideal thermal insulators. This work investigates Ag26I18W4O16, a superionic conductor tunable from fully amorphous to single-crystalline states, as a model system to probe the impact of disorder and amorphization on thermal transport. Extensive Ag+ disorder, in both crystalline and amorphous phases, reduces thermal conductivity to approximately the theoretical lower bound of 0.16 W/m-K with virtually no temperature dependence, while concurrently achieving the lowest mean sound velocity ever recorded for a dense solid. Pair distribution function (PDF) analysis of synchrotron X-ray total scattering data indicates that short-range disorder (< 5 Å), rather than long-range periodicity, governs thermal insulation performance in both phases. These findings suggest a design strategy reconciling structural stability with glass-like thermal insulation.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4290-9

Co-doping enables band convergence, dopability preservation and dislocation engineering in PbTe thermoelectrics

Thermoelectric materials enable direct and reversible conversion between heat and electricity, offering unique advantages for waste heat recovery, solid-state refrigeration, and deep-space power systems. The performance is evaluated by the dimensionless figure of merit, zT = S²σT/κ, where S is the Seebeck coefficient, σ is the electrical conductivity, T is the absolute temperature, and κ is the total thermal conductivity. Achieving high zT requires simultaneous realization of a large power factor (S²σ) and low thermal conductivity. However, these parameters are intrinsically coupled, posing a fundamental challenge. PbTe is a representative thermoelectric material operating in the intermediate temperature range, with outstanding performance originating from its unique electronic band structure featuring multiple nearly degenerate valence band maxima near the L points. Band convergence via alloying with mono-tellurides such as MgTe, MnTe, CdTe, YbTe, SrTe, and EuTe effectively modifies the valence band structure, increasing band degeneracy and density-of-states effective mass, thereby enhancing electrical conductivity without decreasing the Seebeck coefficient. However, increasing the content of these mono-tellurides limits acceptor dopability, making conventional dopants like Na difficult to incorporate. This study demonstrates that co-doping strategies can preserve dopability while achieving band convergence and dislocation engineering, leading to significantly reduced lattice thermal conductivity and extraordinary peak zT values. The decoupling of electronic and thermal transport through this approach offers a promising route for high-performance thermoelectrics.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4269-4

Nanoparticle-Reinforced Self-Assembled Molecular Interfaces Enable Mechanically Robust Flexible Organic Solar Cells

Self-assembled molecular interlayers (SAMs) are promising hole-selective contacts for high-efficiency organic solar cells (OSCs) due to their well-defined energy alignment and minimal parasitic absorption. However, their intrinsically limited mechanical robustness often leads to structural degradation and performance loss under mechanical deformation, restricting their application in flexible devices. Here, we report a nanoparticle-reinforced self-assembled composite interface that simultaneously enhances mechanical reliability and optoelectronic performance. Uniformly dispersed SiO2 nanoparticles are introduced as high-modulus reinforcing building blocks without disturbing molecular self-assembly. In contrast to NiOx nanoparticles, which suffer from aggregation and parasitic absorption, SiO2 nanoparticles exhibit excellent dispersion and optical transparency, enabling formation of a structurally compatible hybrid interface. Mechanistic studies reveal that SiO2 nanoparticles redistribute interfacial stress and form dynamic hydrogen-bond networks with phosphonic acid groups of 2PACz, providing efficient energy dissipation during cyclic deformation. Meanwhile, modulation of interfacial polarity extends the crystallization time window of the active layer, resulting in enhanced molecular ordering and improved charge transport. As a result, devices based on the SiO2/2PACz composite interface achieve a power conversion efficiency of 20.14% for rigid devices and 19.30% for flexible devices, placing the flexible devices among the highest-performing flexible OSCs reported to date, while retaining over 90% of their initial efficiency after repeated bending cycles. This work establishes a general strategy for overcoming the trade-off between electronic selectivity and mechanical robustness in ultrathin self-assembled molecular interfaces, providing design insights for high-performance flexible organic optoelectronics.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4212-x

Inhalable ROS-Responsive Liposomes for Orchestrating Microenvironment Remodeling and Epithelial Regeneration in Pulmonary Fibrosis

Idiopathic pulmonary fibrosis (IPF) is a lethal interstitial lung disease with limited therapeutic options. Current treatments, such as nintedanib and pirfenidone, target downstream fibrosis but fail to address the upstream drivers, including persistent alveolar epithelial injury and abnormal repair. This study presents an inhalable, reactive oxygen species (ROS)-responsive liposomal system (SAB/GC-1@Lip-cRGD) that co-delivers the antioxidant salvianolic acid B (SAB) and the thyroid hormone receptor β (TRβ) agonist Sobetirome (GC-1). The liposomes are surface-modified with cRGD peptides for targeted delivery to fibrotic lesions and possess a negative surface charge to enhance mucus penetration. In the high-ROS fibrotic microenvironment, the liposomes destabilize, releasing SAB and GC-1. SAB scavenges ROS to remodel the fibrotic niche, while GC-1 reactivates TRβ signaling, driving the differentiation of stalled Krt8+ transitional epithelial cells into functional alveolar type I (AT1) cells. In a mouse model of pulmonary fibrosis, SAB/GC-1@Lip-cRGD significantly reduced pro-inflammatory cytokines (TNF-α, IL-1β, IL-6) and TGF-β1 in bronchoalveolar lavage fluid and lung homogenates. The proportion of CD206+ M2 macrophages decreased from 27.4% in the model group to 6.2% after treatment, indicating potent anti-inflammatory and anti-fibrotic effects. This synergistic strategy of microenvironment remodeling and epithelial regeneration achieved robust collagen depletion, restoration of alveolar integrity, and recovery of pulmonary function, outperforming single-drug or non-targeted formulations. The work provides a generalized paradigm for integrating microenvironment regulation with regenerative repair in pulmonary diseases.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4106-8

Carrier Regulation in Monolithic Perovskite/Organic Tandem Solar Cells

Perovskite/organic tandem solar cells (PO-TSCs) have emerged as a compelling photovoltaic architecture to transcend the Shockley-Queisser limit of single-junction devices. By monolithically stacking a wide-bandgap (WBG) perovskite top cell and a narrow-bandgap (NBG) organic bottom cell, PO-TSCs enable broad spectral utilization and reduced thermalization loss, offering a viable pathway toward efficiencies beyond 30%. Their solution processability, compatibility with orthogonal solvents, and potential for lightweight, flexible, and semi-transparent modules further make them attractive for building integrated and portable electronics. However, the realization of high-performance PO-TSCs critically depends on precise carrier regulation across the entire multilayer stack, where inefficient charge transport, recombination losses, and interfacial bottlenecks often limit the overall power conversion efficiency (PCE) and stability. This review systematically examines the carrier-regulation strategies essential for advancing PO-TSCs, focusing on defect and phase-control in WBG perovskites, the design of optically transparent and electrically efficient interconnecting layers, and the enhancement of charge generation and collection in organic subcells. The integration of these approaches has recently enabled efficiencies exceeding 26%, demonstrating the rapid progress of the field. Ultimately, we conclude with an outlook on the remaining challenges in scalability, operational stability, and manufacturability, providing a roadmap for future research toward commercially viable tandem photovoltaics.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3698-5

Identifying the Surface Dynamic Evolution of Electrocatalysts during Oxygen Evolution Reaction by In Situ Techniques

The oxygen evolution reaction (OER) is a critical bottleneck in next-generation sustainable energy systems due to its sluggish kinetics. Developing cost-effective, high-efficiency electrocatalysts requires understanding the dynamic structural evolution at electrode-electrolyte interfaces under operating conditions. In situ techniques are invaluable for identifying active centers and monitoring key intermediates. This review comprehensively summarizes recent advances in cutting-edge in situ methods for characterizing OER electrocatalyst structure evolution. It provides a brief overview of active motifs and robust structures using multiple in situ correlative techniques, establishing essential structure-performance relationships and updating mechanistic understanding at atomic scale under realistic conditions. Key challenges and perspectives are highlighted to promote rational design of promising electrocatalysts for efficient oxygen-associated electrocatalysis and electrosynthesis.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3770-9

Strategic Dihedral Angle Engineering for High-Efficiency Through-Space Charge Transfer TADF Emitters

Intramolecular through-space charge-transfer (TSCT)-enabled thermally activated delayed fluorescence (TADF) emitters have shown exceptional potential for advancing organic light-emitting diode (OLED) technologies, owing to their efficient utilization of triplet excitons and optimized photophysical properties. To date, the intrinsic correlation among molecular geometries, intramolecular non-covalent interactions, and photophysical properties in TSCT-TADF emitters remains unconfirmed, and this study theoretically clarifies this critical correlation. Specifically, through integrating molecular engineering, screening strategies, first-principles calculations, energy decomposition analysis, and statistical modeling, we systematically investigated 24 experimentally reported TADF molecules, and 54 newly designed structures in both solution and thin-film environments. We establish a clear geometric criterion for high-efficiency TSCT-TADF emitters: donor-acceptor (D-A) dihedral angles below 25° and interfragment distances within 4 Å—conditions validated by both theoretical predictions and experimental evidence. Based on this insight, we designed two novel molecular libraries with benzene- or carbazole-derivative bridges, using O-bridged triphenylamine (DPXZ) as the donor and quinolino[3,2,1-de]acridine-5,9-dione (QAO) as the acceptor. Our calculations confirm that sub-25° D-A dihedral angles correlate with exceptional delayed fluorescence efficiency, with predictions reaching up to 96% and an average of 70% for the new thin film systems. This study provides a rational design strategy for high-performance TSCT-TADF emitters, significantly advancing the molecular-level understanding of through-space interactions and accelerating the discovery of tailored, efficient OLED materials.

New Carbon Materials2026DOI: 10.1016/S1872-5805(25)61036-5

Low-cost synthesis of large graphene oxide flakes by the total oxidation of large natural graphite flakes

Large graphene oxide (LGO) sheets offer significant advantages over smaller ones in various applications, yet their production via Hummers-type oxidation of large natural graphite flakes remains challenging due to difficulties in achieving full oxidation and avoiding fragmentation. This study provides the first direct evidence that large graphite flakes (up to 1 mm) can be completely oxidized without fragmentation under static conditions, as revealed by in-situ monitoring. The oxidation process is governed by diffusion of the oxidizer between layers, described by Fick's law, where a high oxidizer concentration gradient increases the diffusion rate. By minimizing the amount of concentrated H2SO4 solvent, we achieved a semi-solid state that elevates oxidizer concentration, facilitating Mn(VII) diffusion and enabling complete oxidation of gram-scale large flakes with significantly reduced reagent consumption. Reaction temperature was optimized to balance graphite oxidation and Mn(VII) self-decomposition. Using this approach, 200-, 100-, and 50-mesh natural graphite were fully oxidized with reduced H2SO4 and KMnO4 usage. After exfoliation, LGO with average lateral sizes of 27.3, 58.7, and 116.2 μm were obtained, respectively, with 100% conversion and yield over 165%. This work not only provides a scalable, cost-effective strategy for LGO production but also advances the fundamental understanding of Hummers-type oxidation.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202506005

Analysis of National and Local Policies for Medical Waste Treatment and Disposal in China

The escalating generation of medical waste, driven by healthcare expansion and frequent medical activities, poses significant environmental and public health risks. Under the framework of ecological civilization, China is developing a comprehensive policy system for medical waste treatment and disposal, yet the current framework remains nascent and exhibits inconsistencies between national and local policies. This study systematically analyzes the status of national and local policies from 2003 to 2024, collecting 413 policy documents (166 from national ministries and 247 from provincial governments). The analysis examines temporal evolution, regional distribution, and policy focus, alongside the influence of medical waste output, treatment technologies, facility infrastructure, and major epidemic responses. Findings reveal distinct policy phases: initial self-disposal, exploratory management, foundational system building, and rapid development. Regional disparities are pronounced, with eastern coastal areas showing more advanced policies due to greater technical and financial resources. The surge in medical waste, particularly during the COVID-19 pandemic, underscores the need for enhanced regulatory guidance. Non-incineration technologies are gaining traction for their environmental and cost benefits, and facility coverage has improved but remains uneven. The study proposes five policy principles to foster technological innovation and industrial upgrading, ensuring safe medical waste management and environmental protection.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2024083002

Prediction of Selenium-Rich Maize Planting in Selenium-Poor Land Based on Random Forest Model

Selenium (Se) is an essential trace element for human health, and dietary intake through Se-rich crops is the primary route. However, total soil Se content does not directly reflect the bioavailability to plants, which depends largely on soil available Se. This study, conducted in Shipai Town, Longshan County, Hunan Province, used 1:50,000 land quality geochemical survey data to investigate factors influencing the Se bioaccumulation coefficient in maize kernels. Soil pH, CaO, and MgO were identified as significantly positively correlated with the bioaccumulation coefficient and were selected as proxies for soil available Se. A random forest (RF) model was developed to predict maize grain Se content and assess the feasibility of cultivating Se-rich maize in low-Se farmland. Results showed that although soil Se was deficient, 53.64% of maize grain samples met the Se-rich product standard (0.02–0.30 mg·kg−1). Compared with multiple linear regression, the RF model exhibited higher accuracy and reliability. The RF model predicted that 40.91% of farmland in the study area is suitable for natural Se-rich maize cultivation, representing a 25.86% increase over the area identified by soil total Se alone. This study provides a novel methodological framework for planting natural Se-rich maize in Se-deficient regions, validating the potential for such cultivation.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3857-1

Eutectoid transformation in Cu-Be alloys tuned by cooling pathways: from crystallography to mechanical properties

High-Be Cu-Be alloys exhibit dendritic segregation and brittle β/γ phases, complicating processing and applications. This study investigates the influence of cooling path on eutectoid transformation, microstructure, and mechanical properties in Cu-2.8Be and Cu-3.8Be alloys. A two-step homogenization treatment effectively eliminates segregation and suppresses the formation of harmful acicular phases. Diffusion-kinetic and thermodynamic analyses demonstrate that both the initial temperature and cooling rate determine eutectoid morphology and extent. Crystallographic and Eshelby-based analyses reveal that the β → γ transformation involves an isotropic contraction of ~3.9%, producing much lower strain energy than the anisotropic β → α transformation (~28.5% expansion and ~9.2% contraction), thus explaining the preferential nucleation of γ. Rapid cooling promotes incomplete eutectoid decomposition along grain boundaries, forming fine α/γ lamellae with interlamellar spacing down to ~7 nm. Lattice strain analysis confirms considerable distortions at α/γ interfaces (ε_xx = 0.0167, ε_yy = 0.0095). The mechanical incompatibility and high internal strain at these interfaces cause stress concentration and crack initiation. This work establishes a process-microstructure-property-mechanism framework essential for controlling the performance of high-Be Cu-Be alloys.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4054-x

Strengthening d-p Orbital Hybridization by Fluorine Modification for Efficient Oxygen Evolution Reaction

The sluggish kinetics and high onset potentials of the oxygen evolution reaction (OER) at the anode of alkaline water/seawater electrolyzers limit overall energy efficiency. Noble-metal oxides like RuO2 are active but suffer from high cost, agglomeration, and dissolution under oxidizing potentials, especially in chloride-rich electrolytes where competing chloride oxidation reaction (ClOR) occurs. Here, we report a mild two-step dry-wet milling strategy to achieve throughout lattice doping of F− into MnO2 (F-MnO2) and subsequent anchoring of atomically dispersed Ru via Ru–O/F hybrid bonds. The strengthened Mn 3d–O/F 2p hybridization and negative charge shielding of surface F− enhance OER activity/selectivity relative to ClOR and impart superior Cl− tolerance and corrosion resistance. The resulting F-Ru-MnO2-TH electrocatalyst exhibits overpotentials of 280 mV and 200 mV at 10 mA cm−2 in alkaline water and simulated seawater, respectively. It retains ~100% of initial activity after 200 h continuous operation in alkaline media and >95% after 300 h in simulated seawater, significantly outperforming Ru-MnO2 and commercial RuO2. This work provides a scalable route to durable, high-performance OER catalysts for seawater electrolysis.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202507058

Research Progress on Recycling Technologies for Cathode Materials of Spent Lithium Iron Phosphate Batteries

With the rapid development of China's lithium-ion power battery industry, the recycling of large-scale retired batteries has become a critical link for the sustainable development of the new energy vehicle industry. The recovery of cathode materials from spent lithium iron phosphate (LiFePO4) batteries is a current research hotspot, significant for resource recycling and environmental protection. This study systematically reviews recent progress in recycling technologies for spent LiFePO4 cathode materials, mainly including direct regeneration, pyrometallurgy, and hydrometallurgy. It focuses on analyzing the current research status of key steps in hydrometallurgy, such as leaching of valuable elements, deep removal of impurities, and product regeneration, and compares the advantages and limitations of various methods. Addressing core issues in current recovery processes, such as insufficient high-value utilization of iron and phosphorus resources and difficulty in deep impurity removal, this study proposes corresponding solutions and technical prospects, aiming to provide theoretical reference and engineering guidance for efficient, clean, and high-value recycling of spent LiFePO4 batteries.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3993-y

Nucleation and growth mechanisms of TiB2 particles in copper matrix composites prepared by melt dispersion-turbulent mixing in-situ reaction method

Conventional liquid-phase in-situ synthesis of Cu-TiB2 composites often suffers from coarse and non-uniformly distributed reinforcements, stemming from insufficient understanding and control over the in-situ nucleation and growth mechanisms of TiB2 particles. This study introduces a novel melt dispersion-turbulent mixing (MDTM) in-situ reaction technology to fabricate high-performance Cu-TiB2 composites. The MDTM strategy synergistically refines reaction micro-regions by reducing the initial melt droplet size via melt dispersion while enhancing solute convection via turbulence, promoting high-density nucleation and refinement of TiB2 particles. Based on turbulence characteristics and in-situ reaction kinetics, we optimized the melt disperser parameters and established a quantitative model linking particle size to disperser rotation speed and reactant solute concentration. It was found that disperser rotation speed governs three distinct nucleation and growth mechanisms for TiB2 particles. Low-density nucleation at low disperser rotation speeds (0–50 r/min) leads to coarse TiB2 particles. At medium rotation speeds (100–150 r/min), the refinement of micro-regions in the dual-melt reaction achieves high-density TiB2 nucleation. Conversely, at high rotation speeds (150–200 r/min), intense turbulence weakens the nucleation driving force and induces TiB2 particle coarsening. This work provides new insights into liquid-phase in-situ reaction mechanisms and offers a novel, controllable route for fabricating high-performance micro/nano particle-reinforced metal matrix composites.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202509095

Mechanistic Insights into Biochar@PVA-SA Composite Fillers for Enhanced Biopurification of Isohexane in Biotrickling Filters

Biotrickling filtration (BTF) is a promising technology for treating volatile organic compounds (VOCs), but its application to hydrophobic alkanes like isohexane is hindered by mass transfer limitations, low degradation efficiency, and high operational costs. To address these bottlenecks, this study developed composite fillers by incorporating biochars derived from coffee grounds (CG), coconut shells (CS), corn cobs (CC), and activated carbon (AC) into a polyvinyl alcohol-sodium alginate (PVA-SA) hydrogel matrix. The fillers were systematically characterized for water retention, pore structure, surface functional groups, crystalline phase, and acid-base resistance. Adsorption capacity, biofilm formation, and isohexane degradation were evaluated using the strain Rhodococcus ruber ZYH-ZY. Among the composites, CG@PVA-SA exhibited superior performance: water retention of 358 mg·g−1 (vs. 280 mg·g−1 for control), enhanced mesoporosity (specific surface area 4.77 m2·g−1, pore volume 11.46 cm3·kg−1, 10–30% higher than control), and robust acid-base stability (mass loss 21.37% at pH 2 and 31.98% at pH 10). Its saturated adsorption capacity reached 201.02 mg·kg−1 (vs. 114.24 mg·kg−1 for control), and it promoted bacterial colonization with a survival rate of 79.0% (vs. 37.2% for control). Static degradation tests showed 96.59% removal of 10 μL isohexane within 24 h. The abundant polar functional groups and suitable mesoporous structure of coffee ground biochar synergized with the PVA-SA matrix, enhancing water retention, mass transfer, and microbial colonization, thereby significantly improving isohexane purification. CG@PVA-SA is an ideal filler for BTF treatment of alkane VOCs, offering a cost-effective and efficient solution for industrial VOC control.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202510004

Quantitative Evaluation and Coupling Analysis of Purging Performance in Regenerative Thermal Oxidizers Based on CFD Simulation

Ammonium salt crystallization-induced blockage of the regenerative heat exchanger in regenerative thermal oxidizers (RTOs) remains a critical operational challenge, particularly in pharmaceutical applications where NH4Cl constitutes up to 70% of the fouling deposits. This study employs computational fluid dynamics (CFD) to systematically simulate six purging configurations, varying injection angle and pipe arrangement, and quantifies purging effectiveness via a novel evaluation method based on characteristic observation planes. Using the Realizable k-ε turbulence model coupled with a porous media model, we analyze the velocity distribution and low-velocity failure zones at the gas chamber–regenerator interface. Results demonstrate that a single-pipe 45° oblique injection achieves the highest effective purging area of 57.6%, a 35.7% improvement over conventional horizontal purging. Increasing pipe diameter significantly enhances flow uniformity, yielding an efficiency gain of approximately 40%, outperforming mere increases in gas velocity. A synergistic optimization strategy is proposed, prioritizing high-performance purging structures with coordinated parameter tuning. The recommended configuration—single-pipe 45° injection, 280 mm pipe diameter, and 14 m·s−1 gas velocity—achieves 88.2% purging efficiency without additional fan power, representing a 45.6% improvement over conventional modes. These findings provide a theoretical basis and engineering solution for RTO purging system design and operational optimization.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2026010502

Molecular Dynamics Simulation in the Mechanism Exploration Research of Environmental Remediation: Current Status and Challenges

Environmental pollution severely impacts ecosystems, human health, and socio-economic development, necessitating efficient removal and detoxification of pollutants. Traditional trial-and-error approaches are inadequate for developing high-performance environmental materials and remediation technologies. Molecular dynamics (MD) simulations have emerged as essential tools for elucidating pollutant removal and toxicity mechanisms at the atomic-molecular level. This review summarizes core computational methods of MD simulations, including force fields, ensemble settings, and enhanced sampling techniques. It then discusses applications in novel adsorbent materials, bioremediation (enzyme catalysis), membrane separation, and membrane fouling, highlighting how MD reveals microscopic interaction mechanisms. Current limitations, such as force field accuracy, timescale constraints, and system size, are critically assessed. Future integration with artificial intelligence (AI) and machine learning is explored for accelerating simulations, improving force field parameterization, and enabling high-throughput screening. The review aims to promote mechanism-based design and diversified development of environmental pollution control materials and remediation technologies.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025022501

Comparison and Optimization of Pretreatment Methods for Emerging Contaminants and Application in Industrial Wastewater Samples

The pretreatment of trace emerging contaminants in environmental matrices is challenging due to diverse methods and uncertain applicability. This study compared solid-phase extraction (SPE) and liquid-liquid extraction (LLE) for extracting endocrine-disrupting compounds (EDCs), particularly phthalate esters (PAEs), using laboratory-spiked blank samples. LLE achieved satisfactory recoveries for PAEs at spike levels below 4 μg·L−1, enabling detection of five PAEs including diisodecyl phthalate (DIDP), with improved efficiency via repeated extraction. SPE offered lower detection and quantification limits, higher accuracy and sensitivity, and achieved high recoveries for 12 EDCs and 10 antibiotics at spike levels ≥0.2 μg·L−1, with detection limits as low as 0.1–6.4 ng·L−1. The developed SPE coupled with liquid chromatography-Orbitrap mass spectrometry (LC-Orbitrap MS) method was applied to industrial wastewater samples. Across five industrial sectors (coatings, rubber, pharmaceuticals, inks, and materials technology), five antibiotics and ten EDCs were detected, with total concentrations ranging from 0.03–0.56 μg·L−1 and 0.07–1.91 μg·L−1, respectively. Sector-specific profiles emerged: rubber industry effluent was dominated by dibutyl phthalate (DBP) at 1.07 μg·L−1, while pharmaceutical effluent featured sulfamonomethoxine (SMM) at 0.34 μg·L−1. This systematic evaluation demonstrates that SPE-LC-Orbitrap MS is robust for complex matrices, providing a technical foundation for accurate quantification of emerging contaminants in industrial wastewater.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202606021

Construction and Application Analysis of Overall Energy System for Regenerative Thermal Oxidizers (RTOs)

To provide a theoretical basis for energy-saving combustion of regenerative thermal oxidizers (RTOs), this study analyzes energy nodes during RTO operation, refines heat balance accounting, and establishes an overall energy system. Taking a three-chamber RTO as the research object, the enthalpy of exhaust gas at different stages is calculated, and a whole-process heat balance model is developed to systematically analyze exhaust gas preheating, combustion, heat recovery, and heat loss transfer. An improved energy accounting method is proposed to address dynamic heat exchange inside heat accumulators, coupling of multiple gas streams, and boundary heat loss under complex conditions. The longitudinal temperature distribution function of heat accumulators is introduced to overcome difficulties in heat accounting within the accumulator chamber. A thermodynamic system covering 11 key internal energy nodes is constructed. Combined with design characteristics of RTO operation across industries, the application scope of the overall energy system is analyzed; equilibrium terms can be adjusted according to actual conditions, ensuring wide applicability. Validation via an RTO energy system for a glove manufacturing plant demonstrates that outlet temperature prediction accuracy improves from 14.3% to 2.8%, providing a theoretical foundation for future intelligent energy-saving combustion research.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025031102

Rational Design of Laccase Mutants for Enhanced Catalytic Degradation of Benzene-Containing Pollutants: A Computational Insight into Binding Pocket Engineering

Laccases are promising biocatalysts for environmental remediation, yet their application is hindered by the instability and limited substrate affinity of wild-type enzymes. Here, we report a computational strategy integrating homology modeling, molecular docking, and virtual mutagenesis to engineer high-performance laccase mutants targeting benzene-containing pollutants. Structural analysis revealed that fungal laccase (Trametes versicolor, T.v) exhibited stronger binding affinities for aniline, o-phenylenediamine, and 1-hydroxybenzotriazole (HBT) compared to bacterial laccase (Bacillus subtilis, B.s), attributed to optimized hydrophobic and hydrogen-bond interactions within the substrate-binding pocket. Virtual mutagenesis identified critical residues (e.g., Ser113, Leu459) regulating substrate stability. Notably, mutations at Ser113 to Arg/Glu/Leu significantly enhanced binding energy (ΔG ≤ −7.1 kcal·mol−1 for HBT) by narrowing the pocket exit and reinforcing hydrophobic constraints. Mechanistically, polar mutations in the pocket interior promoted hydrogen bonding, while hydrophobic substitutions at peripheral residues restricted substrate dissociation. Our findings establish a dual-region engineering principle—enhancing hydrogen bonds internally and hydrophobicity externally—to optimize laccase activity. This work provides a generalizable framework for the rational design of oxidoreductases in pollutant degradation.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202512052

Performance of Iron-Carbon-Manganese Ore Composite Substrate Constructed Wetland for Simultaneous Removal of Nitrogen and Tetracycline

Constructed wetlands (CWs) with conventional substrates often exhibit limited removal of nitrogen and antibiotics from secondary effluent. This study developed an iron-carbon-manganese ore (Fe-C-Mn) composite substrate CW to enhance simultaneous removal of nitrogen and tetracycline (TC). Under influent TC of 2 mg·L−1 and total nitrogen (TN) of 15 mg·L−1, the Fe-C-Mn system achieved average TC removal of 91.3%, significantly higher than the gravel control (27.2%). TN and nitrate nitrogen (NO3−-N) removals reached 71.7% and 83.3%, respectively, versus 7.8% and 1.2% in the control. Substrate analysis revealed increased surface roughness and synergistic generation of active components (Fe(II)/Fe(III) and Mn(II)), driving autotrophic denitrification and TC biodegradation/chemical degradation. Microbial community analysis indicated reduced overall diversity but selective enrichment of potential TC degraders (e.g., Trichosporon, Bacillota) and denitrifiers (e.g., unclassified_f_Rhodocyclaceae). TC degradation pathways included demethylation, hydroxylation, and ring-opening, ultimately yielding small metabolites. These findings provide theoretical and technical support for enhanced removal of antibiotics and nitrogen from secondary effluent using CWs.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202608007

Antibiotic Pollution Characteristics and Ecological Risk Assessment in the Tidal Reach of the Minjiang River During Low-Water Periods Under Policy Intervention

The Minjiang River Basin, subjected to combined pollution from domestic, agricultural, and industrial sources, has become a typical sensitive area for studying the environmental behavior of emerging contaminants such as antibiotics. This study conducted a cross-year comparative analysis of the composition and concentrations of antibiotics in water samples from nine sampling sites during the dry season in November 2022 and 2024. The findings revealed: 1) After the implementation of the "National Action Plan for Reducing Antimicrobial Use in Livestock", the detection concentrations of tetracycline antibiotics (TCs) decreased (e.g., doxycycline concentrations dropped from 7.75 ng/L to undetectable levels), and the mixed risk quotient (MRQ) across the entire basin transitioned from medium to low risk. However, lincomycin (up to 4.6 ng/L), clarithromycin (1.3 ng/L), and florfenicol (0.6 ng/L) have emerged, indicating an increasing hidden ecological risk from substitution. 2) High-concentration antibiotic zones transferred from urban residential areas in 2022 to intensive aquaculture zones and upstream reservoir areas in 2024. The reduction in dry-season water flow intensified pollutant accumulation, synergistically enhancing the effects of tidal drag. Additionally, the conversion of agricultural land to aquaculture ponds led to increased use of alternative drugs (e.g., sulfamethazine), while policy interventions mitigated the exacerbation of urban antibiotic pollution by construction land. This study elucidates the migration patterns of antibiotic pollution under the synergistic effects of policy regulation and natural processes, emphasizing the need to address hidden risks of substitute drugs and the driving role of land-use changes, providing scientific basis for watershed-scale risk assessment and precise management of emerging pollutants.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202608013

Combined Application of Compound Algicide and Submerged Plants for Algal Bloom Control and Eutrophic Water Remediation

Eutrophication and cyanobacterial blooms threaten aquatic ecosystems and drinking water safety globally. This study evaluated the efficacy of a compound algicide (PQGA-126, PAC, and red soil) combined with submerged plants (Vallisneria natans and Hydrilla verticillata) for suppressing blooms and restoring eutrophic water. Indoor static experiments used algae-laden water from Nanhu Lake, Gongqingcheng, Jiangxi. Six treatments were established: control, V. natans alone, H. verticillata alone, algicide alone, algicide + V. natans, and algicide + H. verticillata. Results demonstrated that combined treatments significantly reduced total nitrogen (TN), total phosphorus (TP), chlorophyll-a (Chl-a), and turbidity, markedly lowering eutrophication within a short period. The combined approach outperformed single-plant treatments, with algicide + V. natans achieving the greatest reduction in the comprehensive trophic state index. Additionally, the algicide significantly enhanced V. natans growth rate and H. verticillata catalase (CAT) activity, indicating species-specific physiological responses. These findings suggest that integrating compound algicide with submerged plants, particularly V. natans, offers a promising strategy for rapid and effective eutrophic water remediation.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4035-5

Trace Sulfur Pre-Doped Bismuth Electrocatalysts for Stable and Efficient CO2 Reduction to Formate

Electrocatalytic CO2 reduction reaction (CO2RR) to formate offers a promising pathway for storing renewable electricity in chemical fuels and enabling carbon recycling. The development of efficient and stable catalysts for this specific pathway, however, remains a central challenge. Heteroatom doping can significantly tune the interaction between active sites and key intermediates, boosting catalytic performance. Conventional doping in Bi-based catalysts often relies on uncontrollable in-situ electrochemical processes, leading to ineffective bulk incorporation. Here, we present a simple pre-doping strategy that enables precise doping at surface active sites, thereby enhancing electrochemical performance. The resulting catalyst achieves >95% Faradaic efficiency for formate across 100–500 mA cm−2 in a flow cell and maintains >95% efficiency for over 70 h at 100 mA cm−2 in a membrane electrode assembly, outperforming pure Bi and Bi2S3. A solar-driven system further demonstrates a 4.4% solar-to-formate conversion efficiency. Mechanistic studies reveal that sulfur doping increases electron density, stabilizes the key *OCHO intermediate, and suppresses hydrogen evolution. These findings provide valuable insights into the precise pre-doping modulation of surface active sites for designing highly efficient and stable CO2RR catalysts.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4136-y

Engineering Hydrogen-Bond Networks in Self-Assembled Molecules Boosts All-Perovskite Tandem Solar Cell Efficiency

All-perovskite tandem solar cells (TSCs) are poised to surpass the Shockley–Queisser limit of single-junction perovskite solar cells (PSCs) by integrating wide- and narrow-bandgap subcells to broaden spectral utilization. However, their performance remains constrained by interface charge transfer losses and non-radiative recombination in wide-bandgap subcells. Self-assembled monolayers (SAMs) serve as effective hole-selective contacts, yet conventional designs suffer from uncontrolled intermolecular interactions due to amphiphilic characteristics, leading to detrimental self-aggregation, suboptimal molecular packing, and weakened interfacial adhesion. In a recent breakthrough published in Nature Energy, Wang et al. introduced a rational molecular design that integrates amide units as dual hydrogen-bond donors and acceptors into a bicarbazole-based biphosphonic acid dimer (AOCzPA). This design suppresses self-aggregation via a twisted conformation of the C–C-linked carbazole dimer, enhancing steric hindrance and preventing π–π stacking. The amide groups establish an expansive, cooperative hydrogen-bonding network, forming intramolecular bonds, intermolecular connections, and strengthened bonds with hydroxylated transparent conductive oxides (TCO) via C=O···HO–In/Sn and N–H···O–In/Sn. This network impedes long-range crystalline order, creating an amorphous, homogeneous molecular distribution without nanovoids. Consequently, the energy band at the perovskite interface bends upward, narrowing the energy offset to 0.42 eV and aligning HOMO levels for barrier-free hole extraction. The strategy yields exceptional performance: 1.77 eV single-junction wide-bandgap PSCs achieve a PCE of 21.56%, V_OC of 1.35 V, and FF of 85.76%, indicating low voltage losses and suppressed non-radiative recombination. This work advances SAM design from monolayer assembly to networked interface engineering, enhancing mechanical and chemical robustness and minimizing hole-transport losses.