Organic photovoltaic (OPV) materials with polycyclic skeletons suffer from complex synthesis and high costs, which hinder interdisciplinary research and commercial application. Herein, we developed a promising recycling procedure to extract the valuable organic photovoltaic materials, and ITO/glass via using halogen-free solvents. The proportion of profit to the production cost of OSCs was attained to 54.95%. The recycled PM6-R and Y6-R were verified purity by the ICP-MS and MALDI-TOF, which were further fabricated as organic solar cells (OSCs), achieving moderate power conversion efficiencies (PCEs). Furthermore, recycled Y6-R was prepared to nanoparticleas (Y6-R@NPs) to conduct for research on photodynamic anti-tumor therapy. Compared to previous phototherapy studies of Y6, Y6-R@NPs could not only exhibit similar photothermal effect, but also released ROS including O2− and OH. As a result, Y6-R@NPs exhibited obvious phototoxicity for 4T1 cells under 808 nm irradiation, due to the apoptosis mechanism. In vivo test, Y6-R@NPs exhibited excellent tumor suppression under irradiation, as well as favourable biosecurity. This work not only provides a sustainable recycling protocol for waste OSCs, but also replenish the anti-tumor mechanisms of apoptosis for Y6, which is conducive to promoting the development of circular economy for OPVs, and interdisciplinary research organic photovoltaic materials.

Different oxygen vacancy concentrations in Bi4O5Br2 porous microspheres modulate the surface electronic substructure and expose abundant Bi(3-δ)+ sites. Defects produced by oxygen vacancies facilitate efficient carrier separation and improve the...

In the study, BiFeO3, Bi2Fe4O9 and their composites (BiFeO3/Bi2Fe4O9) were synthesized using a sol-gel process coupled with temperature-controlled calcination. The formation of BiFeO3/Bi2Fe4O9 heterostructure enhances electron density around the phase boundaries, which facilitates the reduction of Fe3 + to Fe2+ and thus accelerates H2O2 decomposition for reactive oxygen species (ROS) production. The removal of chlortetracycline hydrochloride (CTC) and 2-mercaptobenzothiazole (MBT) reaches 69.5% and 93.8% in the BiFeO3/Bi2Fe4O9/ H2O2 system, which achieves enhanced performance improvement compared with pristine BiFeO3 materials and Bi2Fe4O9 materials. The ROS capture experiment and ESR spectra demonstrates that center dot O2-, 1O2 and center dot OH play a critical role in degradation processes. Based on the analytical data obtained via HPLC-MS measurements, a plausible CTC degradation pathway and the intrinsic Fenton reaction mechanism are proposed. This manuscript establishes a reference for the precise design of BiFeO3-based heterostructure featuring H2O2 utilization to advance ROS evolution for pollutant removal.

The photocatalytic reduction of CO2 into multi-carbon (C2+) products using solar energy is a promising yet complex area of research. Compared to single-carbon products (C1), C2+ compounds have higher added value and broader application potential. This review focuses on various catalyst modification strategies—such as morphology regulation, doping, and bimetallic synergy—aimed at enhancing the efficiency of multi-carbon product formation. Special emphasis is placed on the mechanisms of carbon-carbon coupling reactions, which play a critical role in generating C2+ products. Additionally, the pathways for producing different C2+ products, especially ethylene and ethanol, are summarized to offer insights into their formation. This review provides a detailed examination of catalyst design, product regulation, and reaction pathways, aiming to facilitate further research and exploration in the field.

In this study, Mo,W:BiVO4 was used as the photoanode substrate, and a Mo,W:BiVO4/CeFeO3-P composite photoanode was fabricated via a dual modification strategy combining CeFeO3 heterojunction construction with surface phosphorization. This constitutes the first reported n-n heterojunction between Mo,W:BiVO4 and CeFeO3. The well-matched band structures of the two semiconductors lay a solid foundation for subsequent phosphorization and outstanding photoelectrochemical performance. Structural characterization reveals that sheet-like CeFeO3 is in intimate contact with Mo,W:BiVO4 to form an n-n heterojunction, and amorphous surface P modification optimizes the surface electronic structure and coordination environment. The dual modification synergistically suppresses photogenerated carrier recombination, reduces interfacial charge transfer resistance, and enhances hole injection efficiency and surface catalytic kinetics. Under AM 1.5 G simulated sunlight, the optimized photoanode achieves a photocurrent density of 5.64 mA·cm−2 at 1.23 V vs. RHE by LSV at 50 mV·s−1, significantly higher than those of pristine Mo,W:BiVO4 and singly modified samples. Under potentiostatic conditions at the same potential, it delivers a stable photocurrent density of approximately 4.0 mA·cm−2, retaining 84.2% of its maximum value after 6 h of continuous operation. This work verifies the feasibility of the heterojunction and surface phosphorization synergistic strategy and clarifies interfacial electronic interactions and charge transfer mechanisms.

In the study, BiFeO3, Bi2Fe4O9 and their composites (BiFeO3/Bi2Fe4O9) were synthesized using a sol-gel process coupled with temperature-controlled calcination. The formation of the BiFeO3/Bi2Fe4O9 heterostructure enhanced electron density around the phase boundaries, which facilitates the reduction of Fe3+ to Fe2+ and thus accelerates H2O2 decomposition for reactive oxygen species (ROS) production. The removal of chlortetracycline hydrochloride (CTC) and 2-mercaptobenzothiazole (MBT) reaches 69.5% and 93.8% in the BiFeO3/Bi2Fe4O9/H2O2 system, which achieves significant performance improvement compared with pristine BiFeO3 materials and Bi2Fe4O9 materials. The ROS capture experiment and ESR spectra demonstrates that •O2 −, 1O2 and •OH play a critical role in degradation processes. Based on the analytical data obtained via HPLC–MS, a plausible CTC degradation pathway and the intrinsic Fenton reaction mechanism are proposed. This manuscript establishes a reference for the precise design of BiFeO3-based heterostructure featuring H2O2 utilization to advance ROS evolution for pollutant removal.

Cobalt porphyrin/Bi 19 S 27 Br 3 hybrids promote charge separation and CO 2 activation, thereby enhancing solar-driven CO 2 -to-C 2 H 4 conversion.

The construction of heterojunction photocatalysts with tailored defect structures offers a viable route to enhancing visible-light photocatalytic performance. Nevertheless, simultaneously realizing strong redox ability and efficient carrier migration remains an unresolved challenge. Herein, a direct Z-scheme photocatalyst synthesized by combining carbonized polymer dots (CPDs) with oxygen-deficient BiOCl (Vo-BiOCl) was presented and prepared through a solvothermal approach followed by UV-induced vacancy engineering. The CPDs not only broaden the light-harvesting range but also facilitate charge separation, while oxygen vacancies introduce mid-gap states that modulate the local electronic structure, facilitating directional migration and separation of photogenerated charge carriers, thereby indirectly enhancing surface reactivity. Structural and spectral analyses confirm the homogeneous distribution of CPDs and the modification of the electronic structure. Among various ratios, the composite with 2wt% CPDs exhibits the most significant improvement in photocatalytic performance for the degradation of ciprofloxacin (CIP) under visible light, attributed to synergistic effects between CPDs and oxygen vacancies. Electrochemical impedance and photocurrent analyses support the accelerated charge transfer, and band structure evaluation indicates a feasible Z-scheme transfer path. This study provides insight into interface and defect co-engineering for advanced photocatalytic systems.

Engineering heterostructured electrocatalysts with well-defined interfacial chemistry is an effective strategy to enhance catalytic activity, yet the fundamental origin of epitaxial heterojunction superiority remains insufficiently understood. Herein, a highly lattice-matched epitaxial heterostructure is constructed by growing nickel ferrite (NiFe2O4) nanocubes on nickel cobaltate (NiCo2O4) nanorods via a controllable coprecipitation method. The epitaxial growth process is regulated by tuning the coprecipitation time, enabling precise interface modulation. Using this model system, the structure–property relationship of epitaxial heterojunctions is systematically investigated. Combined experimental characterizations and theoretical calculations reveal that high lattice matching facilitates rapid interfacial electron transport, stabilizes the built-in electric field, and generates electron-/hole-rich active sites, thereby optimizing the adsorption/desorption balance of reaction intermediates during both ORR and OER processes. As a result, the epitaxial NFO@NCO heterostructure exhibits enhanced bifunctional catalytic activity and durability compared with physically mixed counterparts. When applied as an air cathode catalyst in zinc–air batteries, the optimized NFO@NCO-8-300 delivers a high peak power density of 126.46 mW·cm-2 and outstanding cycling stability exceeding 800 h. This work provides mechanistic insights and a general design principle for lattice-matched epitaxial heterostructures toward efficient and low-cost bifunctional electrocatalysts.

The photocatalytic reduction of CO2 to produce C2 products involves multiple electron transfer steps, and the development of photocatalysts with synergistic active sites is crucial for efficient CO2 conversion. In this work, Au-Ni bimetallic active sites were successfully fabricated on the surface of TiO2 via stepwise reduction. The bimetallic sites can promote the separation of photogenerated carriers, and enhance the conversion of key carbon-based intermediates. Therefore, the optimized Au4Ni4-TiO2 composite exhibits a higher electron-based selectivity of 33.13% for CO2 to C2H6 compared to both pristine TiO2 and the monometallic Au4-TiO2, achieving yields of 3.86 mu mol center dot g- 1 for C2H6 (1.41 mu mol center dot g- 1 for CH4 and 48.84 mu mol center dot g- 1 for CO). In situ DRIFTS spectroscopy and CO-TPD analyses reveal that the synergistic interaction of the Au-Ni bimetallic sites effectively facilitates the anchoring of the key *CO intermediate and significantly promotes the C-C coupling of *CH3 intermediates. These intermediates are confirmed to be crucial precursors for the formation of C2H6. This work highlights the role of synergistic active site designs in promoting C-C coupling process in CO2 photoreduction and offers an innovative strategy for developing advanced materials for high-value CO2 conversion.

Abstract Photocatalytic CO 2 reduction faces many challenges including rapid charge recombination and inefficient charge transfer. We construct a 0D/2D Z ‐ scheme heterojunction of carbonized polymer dots and Bi 3 O 4 Cl nanosheets (CPDs/Bi 3 O 4 Cl). This structure enables efficient carrier separation while maintaining the strong redox potentials of both components. Without sacrificial agents, the 7 wt% CPDs/Bi 3 O 4 Cl composite achieves a CO production rate of 11.17 μmol g −1 ·h −1 , 2.9 times that of pure Bi 3 O 4 Cl. DFT calculations show interfacial charge redistribution generates an internal electric field, directing charge transfer, suppressing recombination, and enhancing CO 2 adsorption. The elongated C–O bonds and robust C 2 p ‐Bi 6 p orbital interactions directly evidence efficient CO 2 activation at the interface. These effects lower the energy barrier for *COOH formation from 1.32 to 0.78 eV, highlighting the role of carbon dots and interfacial orbital coupling in Z‐scheme photocatalysts for enhanced adsorption‐activation.

For achieving the broad-spectrum removal ability of g-C3N4 materials for various contaminants, it is assessed as a critical core by synchronously enhancing the solar absorption-conversion and PMS adsorption-activation process of g-C3N4 materials. In this manuscript, a S-scheme high-entropy FeMnCoNiCu-LDHs/self-assembly carbon nitride nanotubes (LDHs/SCN) heterojunction was established by mechanical-assisted ball milling, calcination, and hydrothermal method. Contributed to the synergistic effect of multi-metal elements in FeMnCoNiCu-LDHs materials, the photocatalytic PMS activation efficiency of LDHs/SCN composites is benefit from the efficient conversion of Fe3+/Fe2+, Mn4+/Mn3+, Co3+/Co2+, Ni3+/Ni2+, and Cu2+/Cu+ redox cycles. So, under 0.1 mM PMS and visible light irradiation, the removal efficiency of bisphenol A (BPA), ciprofloxacin (CIP), 2-mercaptobenzothiazole (MBT), oxytetracycline (OTC), tetracycline (TC), and sulfadiazine (SD) pollutants in LDHs/SCN-0.2/PMS/Light system reaches to 91.1 %, 82.8 %, 94.7 %, 86.8 %, 91.4 % and 63.0 %, respectively. Furthermore, the enhancement mechanism of the photocatalytic PMS activation performance of LDHs/SCN-0.2/PMS/Light system has been elucidated through ESR, UPS, ROS quenching experiments, and band structure analysis. The LC-MS and T.E.S.T. software was successively employed for intermediates transformation pathways and bio-toxicity during BPA degradation. Consequently, this work lays a foundational basis for the design and construction of highly efficient S-scheme heterojunctions for advanced wastewater purification.

Metal-organic frameworks (MOFs) have attracted tremendous interest in the photocatalytic hydrogen evolution reaction (HER). Nevertheless, their practical catalytic performance is limited by the rapid recombination of photogenerated charge carriers and sluggish interfacial reaction kinetics. Herein, a hierarchically structured UiO-66-NH2(Hf) / ZnIn2S4 (denoted UN-66/ZIS) heterostructure was rationally fabricated via a solvothermal strategy to simultaneously regulate charge separation efficiency and optimize interfacial catalytic kinetics. Benefiting from the intimate heterointerface and built-in electric field, the optimized UN-66/ZIS sample exhibits remarkably improved visible-light absorption capability and charge transport efficiency, achieving a photocatalytic hydrogen production of 6052 ± 206 μmol·g-1, which greatly outperforms pristine UN-66 and ZIS. More importantly, in-situ X-ray photoelectron spectroscopy combined with density functional theory calculations directly unveils the mechanism of interfacial charge redistribution and directional electron transfer responsible for the enhanced carrier separation efficiency, offering mechanistic insights into the improved catalytic activity. Furthermore, loading of Pt cocatalyst effectively accelerates the surface hydrogen evolution kinetics. The corresponding hydrogen evolution rate increases to 14,403 ± 287 μmol·g-1·h-1, approximately seven times that of the Pt-free heterostructure. This work proposes a synergistic strategy integrating heterojunction engineering and cocatalyst modulation to simultaneously optimize light harvesting, charge separation and surface reaction kinetics, which provides new guidelines for the rational design of high-performance MOF/sulfide photocatalysts toward solar hydrogen production.

Photocatalytic CO2 reduction faces many challenges including rapid charge recombination and inefficient charge transfer. We construct a 0D/2D Z-scheme heterojunction of carbonized polymer dots and Bi3O4Cl nanosheets (CPDs/Bi3O4Cl). This structure enables efficient carrier separation while maintaining the strong redox potentials of both components. Without sacrificial agents, the 7 wt% CPDs/Bi3O4Cl composite achieves a CO production rate of 11.17 mu mol g-1 & centerdot;h-1, 2.9 times that of pure Bi3O4Cl. DFT calculations show interfacial charge redistribution generates an internal electric field, directing charge transfer, suppressing recombination, and enhancing CO2 adsorption. The elongated C-O bonds and robust C 2p-Bi 6p orbital interactions directly evidence efficient CO2 activation at the interface. These effects lower the energy barrier for *COOH formation from 1.32 to 0.78 eV, highlighting the role of carbon dots and interfacial orbital coupling in Z-scheme photocatalysts for enhanced adsorption-activation.

Herein, Co(II) meso-tetra(4-cyanobenzyl)porphine (TCBP(Co)) was electrostatically integrated onto Bi19S27Br3 nanorods. Its Co-N4 sites and electron withdrawing cyano groups promote interfacial charge separation and facilitate CO2 activation, thereby enhancing solar driven CO2 reduction to C2H4. This work provides an effective strategy for designing high performance organic/inorganic photocatalysts for selective multielectron CO2 conversion.

Solar-powered conversion of CO2 into high-value chemicals and fuels is crucial to CO2 resource utilization and reduced reliance on fossil fuels. Nevertheless, recombination of photogenerated electron-hole pairs remains a primary constraint that inherently curtails the overall photocatalytic efficiency. In this work, a 2D/2D direct Z-scheme Cu2O/Bi3O4Cl heterojunction was rationally designed to achieve efficient charge separation without sacrificing the strong redox ability of each component. Under visible-light irradiation for 5 h, the Cu2O/Bi3O4Cl60 heterojunction, without using sacrificial agents and photosensitizers, shows a CO2 reduction rate of 55.73 mu mol center dot g-1, which is 2.54 times and 4.69 times higher than those of pristine Bi3O4Cl (21.97 mu mol center dot g-1) and Cu2O (11.88 mu mol center dot g-1). Our analysis discloses that the synergistic effect originates from broad light absorption and efficient charge separation in the Z-scheme heterojunction enabled by the well-matched band alignment of Cu2O and Bi3O4Cl, providing a feasible pathway for the rational design of efficient photocatalytic systems for CO2 reduction.

The dynamic, far from equilibrium nature of heterogeneous catalysis often eludes conventional ex situ characterization, motivating the development of operando spectroscopic and microscopic techniques that probe catalysts under true working conditions. This Review provides a systematic and critical overview of operando methodologies that elucidate catalytic function across electronic, structural, and morphological length scales. We summarize key operando probes spanning X-ray, vibrational, magnetic resonance, and electron imaging techniques, and delineate how each resolve distinct yet complementary descriptors of active centers. Representative applications in thermo-, photo-, and electrocatalysis are then highlighted to illustrate how dynamic reaction pathways, transient active species, and reconstruction driven mechanisms emerge beyond static models, with particular emphasis on correlated, multi modal operando strategies that establish causal structure reactivity relationships. Finally, we discuss how artificial intelligence (AI) and machine learning are increasingly intertwined with operando catalysis, enabling data integration, real-time interpretation, and predictive modeling of complex catalytic systems. By bridging dynamic experimentation with data driven analysis, operando AI frameworks point toward autonomous, closed loop catalyst discovery and optimization, positioning operando methodologies as a cornerstone for the rational and predictive design of next-generation heterogeneous catalysts.

Limited by secondary pollution of PMS and active species generation capacity, the development of photocatalytic PMS activation systems should focus on the improvement of PMS utilization efficiency. In this manuscript, S-scheme MnO2/BiOCl heterojunction were constructed for various antibiotics and endocrine disruptors removal by photocatalytic peroxymonosulfate (PMS) activation. Under visible light and the low PMS concentration (0.08 mmol & centerdot;L-1), the doxycycline hydrochloride (DXC) and bisphenol A oxidation performance of MnO2/BiOCl-2 composites have enhanced 16.3% and 67.2% compared with that of BiOCl materials. The photocatalytic PMS utilization efficiency of MOBC-2 composites reaches to 95.5%, wherein that of BiOCl materials is 36.1%. The PMS adsorption energy of MnO2/BiOCl composites by the density functional thoery calculation possess exceptional PMS activation ability ascribed to the coupling with MnO2. Furthermore, the calculation of electron spin-charge density and Gibbs free energy change demonstrates MnO2/BiOCl composites can react with PMS for 1O2 formation. The liquid chromatography-tandem mass spectrometry measurement and Fukui function has been employed for inferring the intermediates of DXC in PMS oxidation process. This manuscript provides research insights and scientific references for construction of S-scheme heterojunction to employ in visible-light-driven low-concentration PMS activation process. (c) 2026, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Photocatalytic technology represents a widely adopted approach for eliminating environmental pollutants. The development of high-performance photocatalysts is crucial for enhancing the efficiency of the process. In this work, hydroxyl-modified Bi2MoO6 (Bi2MoO6-OH) nanosheets were constructed via a facile alkaline treatment process. The experimental results demonstrate that hydroxyl modification enables both the modulation of the band structure of Bi2MoO6 and the effective promotion of photogenerated charge separation, thereby enhancing the availability of active species for photocatalytic reactions. Especially, the Bi2MoO6-OH-2 nanosheets exhibits the high photocatalytic activity of 95.8% for 2-mercaptobenzothiazole (MBT) degradation after visible light irradiation for 50 min, which is significantly superior to that of pristine Bi2MoO6 (46.3%). Furthermore, the degradation pathways were investigated by mass spectra and radical trapping experiments. This work demonstrates a valuable strategy in sewage purification.