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Chinese Journal of Catalysis
2025, Vol. 75
Online: 18 August 2025

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Cover: Fangwei Liu et al. reported NaVO₃ as a ?CH₂Cl radical surface-confined coupling center, demonstrating its superior performance in the selective coupling of methyl chloride to synthesize vinyl chloride. They experimentally validate that the dispersion of NaVO₃ on the catalyst surface has a considerable impact on the reaction efficiency of ?CH₂Cl radicals and the overall catalytic performance. This discovery holds substantial implications for the controlled C1 radical transformation and provides a guidance for the design of catalysts for sustainable production of C₂H₃Cl. Read more about the article behind the cover on page 1–8.

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Selective coupling of methyl chloride to vinyl chloride over dispersed NaVO3 Liu Fangwei, Wei Kunkun, Chen Youwen, Hu Jingbo, Wang Yue, Liu Chengyuan, Pan Yang, Chen Xutao, Zou Shihui, Fan Jie 2025, 75:  1-8.  DOI: 10.1016/S1872-2067(25)64732-2 Abstract ( 96 )   HTML ( 7 )   PDF (1243KB) ( 72 )   Supporting Information The production of C2H3Cl from CH3Cl (MCTV) represents a promising non-petroleum route for synthesizing C2 alkenes from C1 molecules. Exploration of new MCTV catalysts is crucial for advancing sustainable chemical production. In this study, we present NaVO3 as a surface-confined coupling center for •CH2Cl radicals, demonstrating its superior performance in the selective coupling of methyl chloride to synthesize vinyl chloride. By incorporating NaVO3 onto the surface of CeO2, the catalyst enables effective capture of •CH2Cl radicals during the CH3Cl oxidative pyrolysis and their subsequent conversion into C2H3Cl. We experimentally validate the capability of highly dispersed NaVO3 to controllably couple •CH2Cl radicals through in-situ synchrotron-based vacuum ultraviolet photoionization mass spectrometry. The results demonstrate that the dispersion of NaVO3 on the catalyst surface has a considerable impact on the reaction efficiency of •CH2Cl radicals and the overall MCTV performance. This discovery holds substantial implications for the controlled C1 radical transformation and provides a guidance for the design of catalysts for sustainable production of C2H3Cl.

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Interface engineering of oxygen-vacancy-rich MgO/Ni@NiAlO enables low-temperature coke-free methane dry reforming Wang Qiuyue, Yang Chenyu, Zhu Shenggan, Zhang Yuansen, Wang Xuan, Li Yongting, Ding Weiping, Guo Xuefeng 2025, 75:  9-20.  DOI: 10.1016/S1872-2067(25)64743-7 Abstract ( 48 )   HTML ( 8 )   PDF (3475KB) ( 23 )   Supporting Information In the past decade, dry reforming of methane (DRM) has garnered increasing interest as it converts CH4 and CO2, two typical greenhouse gases, into synthesis gas (H2 and CO) for the production of high-value-added chemicals and fuels. Nickel-based DRM catalysts, renowned for their high activity and low cost, however, encounter challenges such as severe deactivation from sintering and carbon deposition. Herein, a surrounded NiO@NiAlO precursor derived from Ni(OH)2 nanosheets was modified at both the core and shell interfaces with MgO via wet impregnation. The obtained 0.8MgOWI/Ni@NiAlO catalyst achieved a high CH4 reaction rate of ~177 mmol gNi-1 min-1 and remained stable for 50 h at 600 °C without coke formation. In sharp contrast, other Mg-doped catalysts (MgO modified the core or shell interfaces) and the catalyst without Mg-doping deactivated within 10 h due to coking or Ni particle sintering. The Ni/MgNiO2 interfaces and abundant oxygen vacancies (Ov) generated by Mg-doping contributed to the outstanding resistance to sintering & coking as well as the superior activity and stability of the 0.8MgOWI/Ni@NiAlO catalyst. In-situ investigation further unveiled the reaction mechanism: the activation of CO2 via adsorption on Ov generates active oxygen species (O*), which reacts with CHx* intermediates formed by the dissociation of CH4 on Ni sites, yielding CO and H2. This work not only fabricates coke-free and high-stability Ni-based DRM catalysts via interface engineering but also provides insights and a new strategy for the design of high-efficiency and stable catalysts for DRM.

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Highly dispersed Pt/Co3O4 catalyst constructed by vacancy defect inductive effect for enhanced catalytic propane total oxidation Feng Chao, Xiong Gaoyan, Chen Chong, Lin Yan, Wang Zhong, Lu Yukun, Liu Fang, Li Xuebing, Liu Yunqi, Zhang Runduo, Pan Yuan 2025, 75:  21-33.  DOI: 10.1016/S1872-2067(25)64736-X Abstract ( 66 )   HTML ( 1 )   PDF (2355KB) ( 24 )   Supporting Information Directional design of efficient catalysts for volatile organic compounds degradation remains a complex, yet effective and challenging process. Herein, oxygen-rich vacancy Co3O4-anchored Pt catalysts were prepared through atom-trapping strategy and relevant vacancy defect inductive effect was proposed. The 0.6Pt/VO-Co3O4 catalyst presented a reaction rate value of 32.2×10-5 mol·gcat-1·s-1 at 160 °C for catalytic propane total oxidation, which was nearly 5 times the reaction rate of Co3O4 (6.7×10-5 mol·gcat-1·s-1). Also, it exhibited excellent water-resistance and catalytic stability. The Pt atoms were stabilized on the Co3O4 surface by vacancy defects to improve dispersion. Meanwhile, the vacancy defect inductive effect induced stronger electron interaction between Pt and Co3O4 on the surface, thus promote the redox ability at low-temperature. The mobility and oxygen-activating ability of surface lattice oxygen were also strengthened by the vacancy defect inductive effect. This facilitated the generation of more surface-active oxygen species for the cleavage of C-H bond and the deep oxidation of intermediate species. Overall, this study proposed a novel concept the fabrication of highly efficient catalysts for the purpose of catalytic oxidation.

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Unveiling the Au-Mn-Cu synergy in Au/LaMnCuO3 catalysts for selective ethanol oxidation Wang Jie, Chen Lulu, Yue Lijun, A. W. Filot Ivo, J. M. Hensen Emiel, Liu Peng 2025, 75:  34-48.  DOI: 10.1016/S1872-2067(25)64686-9 Abstract ( 139 )   HTML ( 3 )   PDF (2875KB) ( 73 )   Supporting Information Gold nanoparticles (AuNPs) supported on the Cu-doped LaMnO3 perovskites exhibit strong Au-Mn-Cu synergy in the aerobic oxidation of gaseous ethanol to acetaldehyde (AC). The Au/LaMnCuO3 catalysts achieve AC yields exceeding 90% and a space-time yield of 715 gAC gAu-1 h-1 at 225 °C, outperforming reported catalysts. The outstanding performance is attributed to adjacent Cu+ and Mn2+ ions in the perovskite surface, which, together with nearby AuNPs, contribute to the high activity and stability. The best-performing catalyst contains a Cu/Mn ratio of 1/3 in the perovskite. Doping too much Cu into the perovskite leads to metallic Cu, suppressing catalyst performance. Density functional theory (reaction energetics, electronic structure analysis) and microkinetics simulations aided in understanding the synergy between Cu and Mn and the role of AuNPs. The reaction involves two H abstraction steps: (1) O-H cleavage of adsorbed ethanol by the basic perovskite lattice oxygen atom and (2) α-C-H cleavage by AuNPs, yielding AC and adsorbed water. Molecular O2 adsorbs in the oxygen vacancy (OV) formed by water removal, generating a peroxide anion (O22-) as the activated oxygen species. In the second part of the catalytic cycle, the basic O22- species abstracts the H atom from another ethanol molecule, followed by α-C-H cleavage by AuNPs, AC production, and water removal. Water formation in the second part of the catalytic cycle is the rate-controlling step for Au/LaMnO3 and Au/LaMnCuO3 models. Moderate Cu doping enhances the essential Cu+-OV-Mn2+ sites and lowers the barrier for water formation due to the weaker Cu-O bond than the Mn-O bond. In contrast, excessive Cu doping creates unstable Cu2+-O-Cu2+ sites and shifts the barrier to the α-C-H cleavage.

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Ru-Co single-atom alloy catalysts for efficient amination of alcohols: A synergistic effect Zhou Zhitong, Guan Weixiang, Pan Xiaoli, Zhang Shengxin, Su Yang, Wang Aiqin, Zhang Tao 2025, 75:  49-58.  DOI: 10.1016/S1872-2067(25)64714-0 Abstract ( 55 )   HTML ( 1 )   PDF (1635KB) ( 10 )   Supporting Information Synthesis of primary amines from alcohols is an economical and green route to access high-value N-compounds. However, challenges remain to develop both cost-effective and efficient catalysts. In this study, we developed a Ru-Co/ZrO2 single-atom alloy catalyst which afforded diverse primary amines from alcohols in the presence of ammonia and hydrogen with exceptional conversion (up to 90%) and selectivity (80%) under mild conditions (0.7 MPa NH3, 0.3 MPa H2, 160 °C) and exhibited satisfactory stability upon regeneration. The turnover rate was approximately 8.4 times higher than that observed over the Co/ZrO2 catalyst. Characterizations indicated that the alloyed Ru facilitated the reduction of Co, strengthened the interaction with H2 and mitigated the over-strong adsorption of aldehyde intermediates. These combined effects contributed significantly to the enhanced catalytic performances. This work presents a promising strategy for the development of advanced catalysts in the amination of alcohols.

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Microenvironment modulation around frustrated Lewis pairs in Ce-based metal-organic frameworks for efficient catalytic hydrogenation Xu Xinmeng, Xi Zuoshuai, Gao Hongyi, Zhao Danfeng, Liu Zhiyuan, Ban Tao, Wang Jingjing, Zhao Shunzheng, Wang Ge 2025, 75:  59-72.  DOI: 10.1016/S1872-2067(25)64695-X Abstract ( 66 )   HTML ( 2 )   PDF (4819KB) ( 20 )   Supporting Information The development of solid frustrated Lewis pairs (FLPs) catalysts with porous structures is a promising strategy for advancing green hydrogenation technologies and has garnered significant attention. Leveraging the diverse oxidation states and structural tunability of cerium-based metal-organic frameworks (Ce-MOFs), this study employed a competitive coordination strategy utilizing a single carboxylate functional group ligand to construct a series of MOF-808-X (X = -NH2, -OH, -Br, and -NO2) featuring rich solid-state FLPs for hydrogenation of unsaturated olefins. The -X functional group serves as a microenvironment, enhancing hydrogenation activity by modulating the electronic properties and acid-base characteristics of the FLP sites. The unique redox properties of elemental cerium facilitate the exposure of unsaturated Ce sites (Ce-CUS, Lewis acid (LA)) and adjacent Ce-OH (Lewis base (LB)) sites within the MOFs, generating abundant solid-state FLP (Ce-CUS/Ce-OH) sites. Experimental results demonstrate that Ce-CUS and Ce-OH interact with the σ and σ* orbitals of H-H, and this "push-pull" synergy promotes heterolytic cleavage of the H-H bond. The lone pair electrons of the electron-donating functional group are transmitted through the molecular backbone to the LB site, thereby increasing its strength and reducing the activation energy required for H2 heterolytic cleavage. Notably, at 100 °C and 2 MPa H2, MOF-808-NH2 achieves complete conversion of styrene and dicyclopentadiene, significantly outperforming MOF-808. Based on in-situ analysis and density functional theory calculations, a plausible reaction mechanism is proposed. This research enriches the theoretical framework for unsaturated olefin hydrogenation catalysts and contributes to the development of efficient catalytic systems.

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Se-doping strategy regulating mass transfer and electronic structure of Fe-N-C electrocatalysts for proton exchange membrane fuel cells Lin Xu, Li Danyang, Huang Shiqing, Sun Panpan, Huang Yan, Wang Shitao, Zheng Lirong, Cao Dapeng 2025, 75:  73-83.  DOI: 10.1016/S1872-2067(25)64715-2 Abstract ( 49 )   HTML ( 0 )   PDF (2616KB) ( 23 )   Supporting Information The limited activity of atomically-dispersed M-N-C electrocatalysts severely restricts their applicability in the oxygen reduction reaction (ORR) for proton exchange membrane fuel cells (PEMFC). Herein, we design and synthesize Se-doped Fe-N-C hierarchical porous electrocatalyst (FeN4/SeC2) by optimizing carbon structure and FeN4 coordination environment. The FeN4/SeC2 electrocatalyst exhibits outstanding ORR activity in 0.1 mol L-1 HClO4, and the resulting PEMFC presents a peak power density of 1.20 W cm-2 in H2-O2 condition at a back pressure of 200 kPa, ranking in the top levels among most reported non-precious metal catalyst-based fuel cells. The lower O2 transfer resistance of FeN4/SeC2-based membrane electrode assembly than FeN4-based one means faster O2 transport in triple-phase boundary (TPB), and Density functional theory calculation further reveals that the synergistic catalysis between porous SeC2 and FeN4-OH species can efficiently lower the energy barriers for the rate-determining step of the ORR. In short, the outstanding performance of FeN4/SeC2 in PEMFC is ascribed to the Se-doping, which introduces more defects and larger mesoporosity and therefore facilitates ionomer infiltration and O2 transfer and charge transfer in TPB. The effective strategy of enhancing mass and charge transfers in TPB is anticipated to be applicable in the construction of highly efficient ORR electrocatalysts.

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Three-fold optimization of Pt/ionomer interface by ionic liquid-modified MOF-808 in cathode of proton exchange membrane fuel cells Yan Huangli, Yu Chengwen, Zhang Xianming, Tang Meihua, Chen Shengli 2025, 75:  84-94.  DOI: 10.1016/S1872-2067(25)64662-6 Abstract ( 72 )   HTML ( 1 )   PDF (2191KB) ( 17 )   Supporting Information The large-scale commercialization of proton exchange membrane fuel cells (PEMFCs) has been hindered by the high demand of platinum (Pt) in the cathode due to the sluggish kinetics of the oxygen reduction reaction. Reducing the amount of Pt would worsen the problems caused by the adsorption of perfluorinated sulfonic acid (PFSA) ionomers to Pt via the side chains, namely, blocking the active sites of Pt and inducing densely packed layers of fluorocarbon backbones on Pt surface to obstruct local O2 transport at the Pt/PFSA interfaces. This work aims at optimizing the Pt/ionomer interface to mitigate the sulfonate adsorption and in the meantime to reduce the local O2 transport resistance (Rlocal), by using a porous composite of 1-butyl-3-methylimidazolium hydrogen sulfate ionic liquid (IL) modified MOF-808 (BMImHSO4@MOF-808) as additive in cathodic catalyst layer (CCL). Through detailed physical, spectroscopic and electrochemical characterizations, we demonstrate a three-fold optimization mechanism of Pt/ionomer interface structure by BMImHSO4@MOF-808: the unsaturated metal sites in MOF-808 effectively inhibit the sulfonate adsorption on Pt through coordination with the sulfonates of PFSA, thereby improving catalyst utilization; the pores in MOF-808 establish efficient transport channels for gaseous oxygen, significantly reducing Rlocal; the IL modification layers facilitate the formation of continuous proton transport networks, increasing proton conductivity. The incorporation of BMImHSO4@MOF-808 in a low-Pt CCL (0.1 mgPt cm-2) yields a peak power density of 1.9 W cm-2 for PEMFC under H2-O2 condition, and ca. 20% increase of power density under H2-air condition as compared with conventional CCL, indicating the prospect of IL-MOF composites as an efficient additive to enhance the performance of PEMFCs.

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Work function-induced spontaneous built-in electric field in Ir/MoSe2 for efficient PEM water electrolysis Zhang Bingjie, Wang Chunyan, Yang Fulin, Wang Shuli, Feng Ligang 2025, 75:  95-104.  DOI: 10.1016/S1872-2067(25)64685-7 Abstract ( 77 )   HTML ( 0 )   PDF (3046KB) ( 13 )   Supporting Information Bifunctional Ir catalysts for proton exchange membrane (PEM) water electrolysis offer transformative potential by streamlining electrolyzer while achieving efficient performance remains challenging due to the distinct conditions required for oxygen and hydrogen evolution reaction (OER and HER). Herein, we propose a theory-directed design of Ir-based bifunctional catalysts, Ir nanoparticles supported on mesoporous carbon spheres embedded with MoSe2 (Ir/MoSe2@MCS), leveraging a work function (WF)-induced spontaneous built-in electric field to enhance catalytic performance. They demonstrate exceptional kinetics for both OER and HER, and potential application in the practical PEM electrolyzer, showcasing the effectiveness of this innovative approach. Low overpotentials of 252 mV for OER and 28 mV for HER to drive 10 mA cm-2 were observed, and the PEM electrolyzer showed the current density of 2 A cm-2 at 1.87 V and maintained stable activity at 1.65 V for over 30 h to deliver 1 A cm-2. Density functional theory calculations reveal that the WF difference at Ir/MoSe2 interface induces a spontaneous built-in electric field with asymmetric charge distributions, that modulate the electronic environment and d-band center of Ir promoting bifunctional active phase formation. This significantly lowers reaction barriers for water splitting by balancing intermediate adsorption, endowing the bifunctional activity.

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Few-layer oxygen vacant Bi2O2(OH)NO3 for dual-channel piezocatalytic H2O2 production from H2O and air Li Yuanrui, Zhang Xiaolei, Li Tong, Hu Cheng, Chen Fang, Cai Hao, Huang Hongwei 2025, 75:  105-114.  DOI: 10.1016/S1872-2067(25)64750-4 Abstract ( 58 )   HTML ( 2 )   PDF (3277KB) ( 10 )   Supporting Information In comparison with traditional anthraquinone methods or electrocatalytic approaches, piezocatalysis for H2O2 generation has garnered extensive attention as an environmentally friendly strategy. It is highly anticipated to develop piezocatalysts with strong piezoresponse, high stress sensitivity and high catalytic activity. Here, we present few-layer Bi2O2(OH)NO3 (BON) nanosheets (~3-4 unit-cell layers) with oxygen vacancies, synthesized via a one-step method, as an efficient piezoelectric catalyst for dual-channel H2O2 production from H2O and air. The few-layer structure endows BON with exceptional mechanical energy harvesting capabilities, while the larger specific surface area facilitates amplifying the modification effects induced by oxygen vacancies. The introduced vacancies boost surface structure asymmetry, creating localized polarization fields and strengthening piezoelectric potential. Simultaneously, the intrinsic effect of oxygen vacancies efficiently facilitates the adsorption and activation of O2, H2O, and intermediates, thereby enhancing the piezoelectric catalytic activity. Thus, the optimized BON exhibits a H2O2 yield of 1345.24 μmol·g-1 from pure water and air via two-electron oxygen reduction and two-electron water oxidation reactions, approximately five times higher than the original BON and surpassing the majority of reported piezoelectric catalysts. This work highlights the importance of microstructure control and defect engineering, and emphasizes the crucial role of structure and oxygen vacancy concentration regulation in enhancing the performance of piezoelectric catalysis for H2O2 production. It provides valuable guidance for designing high-performance catalysts tailored for sustainable environmental remediation.

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Exploring internal interface bonding and multi-metal synergy for boosting photoelectrochemical water splitting Sui Qi, Li Hui, Tao Chen, Li Ran, Gao Yujie, Yang Tingting, Zheng Hongshuai, Xia Lixin, Li Fei, Jiang Yi 2025, 75:  115-124.  DOI: 10.1016/S1872-2067(25)64752-8 Abstract ( 63 )   HTML ( 0 )   PDF (5570KB) ( 37 )   Supporting Information In situ growth of co-catalysts on BiVO4 (BVO) to enhance photoelectrochemical (PEC) water splitting performance has been extensively reported. However, the understanding of the synergistic effects among various elements, especially at the interface between the semiconductor and cocatalyst, has received insufficient attention. In this study, we report a Co, Ni and Mn trimetallic fluoride-modified BVO photoanode featuring a unique interfacial chemical bond (V-F). Under AM 1.5 G illumination, an exciting photocurrent density of 6.05 mA cm-2 was achieved at 1.23 V vs. RHE by the integrated BVO/CoNi0.18Mn0.12(OH)xF photoanode and over 98% of the initial photocurrent was maintained after 10 h of photoelectrolysis. Control experiments and theoretical calculations demonstrate that the V-F interfacial bond stabilizes the Co2+ active sites. It serves as a transmission gear, interlinking the migration of interfacial charge and the regeneration of cocatalyst, endowing the photoanode with significant activity and stability. Furthermore, we have systematically elucidated the role of the individual Co, Ni, and Mn components in the synergistic cocatalyst layer. The interfacial modification provides novel insights into developing advanced photoanodes towards PEC water splitting.

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FeNC shell-stabilized L10-PtFe intermetallic nanoparticles for high-performance oxygen reduction Yu Chengwen, Liang Lecheng, Mu Zhangyan, Yin Shaoqi, Liu Yuwen, Chen Shengli 2025, 75:  125-136.  DOI: 10.1016/S1872-2067(25)64661-4 Abstract ( 87 )   HTML ( 3 )   PDF (3475KB) ( 24 )   Supporting Information In the pursuit of high-performance proton exchange membrane fuel cells (PEMFCs), obtaining durable Pt-based intermetallic catalysts with small particle sizes for oxygen reduction reaction (ORR) stands as a crucial yet challenging topic. Herein, we propose an idea of catalyst design utilizing Fe-phenanthroline (Phen) complex as precursor to integrate metal-nitrogen-carbon (M-N-C) with the strong anchoring effect into carbon shells, synthesizing highly ordered and small-sized (3.59 nm) PtFe intermetallic catalyst coated with iron-nitrogen-carbon (FeNC) shells (L10-PtFe@FeNC). The strong Fe-Phen interaction ensures the uniform dispersion of Fe species on Pt seeds so as to form protective shells suppressing the agglomeration and dissolution of PtFe nanoparticles (NPs) under the high-temperature annealing or harsh operational conditions. It exhibits excellent mass activity (MA) that is about five-fold increase compared to the commercial Pt/C, as well as the significantly improved MA retention after 30,000 potential cycles (68.2% vs. 45.3%). Nitrogen-doped carbon (NC) shells and pure carbon (C) shells are used as comparison to demonstrate the advantages of FeNC shells. Durability test results show that NC and C shells obviously degrade after potential cycles, while well-preserved FeNC shells guarantee catalyst stability. Theoretical calculations reveal that the strong binding between FeNC shells and the Pt surface enhances the stability of both the nanoparticles and the FeNC shells.

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Metal/H+ sites modulation in the decatungstate+Pd/C catalytic system for photocatalytic generation of furfuryl ethyl ether Li Zheng, Zeng Ying, Dong Yuanyuan, Lv Hongjin, Yang Guo-Yu 2025, 75:  137-146.  DOI: 10.1016/S1872-2067(25)64746-2 Abstract ( 36 )   HTML ( 0 )   PDF (1290KB) ( 16 )   Supporting Information Furfuryl ethyl ether (FEE) is considered as one of the most important candidates for biofuels due to its high-octane number. However, it is still challenging to produce FEE via the biomass-based route under mild conditions. Here, we developed a photoinduced catalytic transfer hydrogenation (CTH) process for the efficient production of FEE through the reduction etherification of furfural (FF) using Na4W10O32 (NaDT), Pd/C, and ethanol as the hydrogen atom transfer (HAT) catalyst, hydrogenation catalyst, and the H donor, respectively. Notably, the introduction of brominated benzene (PhBr) as an additive significantly promoted the yield of FEE to 92.7%. A series of experiments and characterization results indicated that the attachment and detachment of Br atoms on Pd/C catalyst surface effectively regulate the balance between H+ sites and Pd sites in the NaDT+Pd/C catalytic system. The balance facilitates the preferential acetalization of FF catalyzed by H+ sites, followed by hydrogenation to efficiently produce FEE catalyzed by Pd sites. This photoinduced CTH process exhibits good stability and recyclability as well as universality for the transformation of various organic substrates under mild conditions.

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Systematic assessment of emerging contaminants elimination using an S-scheme Mn0.5Cd0.5S/In2S3 photocatalyst: Degradation pathways, toxicity evaluation and mechanistic analysis Ai Yating, A. C. Carabineiro Sónia, Xiong Xianqiang, Zhu Huayue, Wang Qi, Weng Bo, Yang Min-Quan 2025, 75:  147-163.  DOI: 10.1016/S1872-2067(25)64723-1 Abstract ( 201 )   HTML ( 5 )   PDF (4206KB) ( 115 )   Supporting Information Emerging contaminants in water sources present serious environmental and health risks, creating an urgent need for efficient and reliable treatment strategies. Photocatalytic advanced oxidation processes (AOPs) provide rapid reaction rates and strong oxidation capabilities, however, comprehensive evaluations of wastewater treatment, including degradation pathways, toxicity assessments and mechanistic insights, remain underexplored in the literature. This study presents novel S-scheme Mn0.5Cd0.5S/In2S3 (MCS/IS) photocatalysts for efficient degradation of antibiotic pollutants, with a particular focus on tetracycline hydrochloride (TCH). The optimized MCS/IS photocatalyst demonstrates exceptional degradation efficiency and robust resistance to inorganic anions. Additionally, a continuous-flow wastewater treatment system, using an MCS/IS membrane, demonstrates outstanding stability in TCH photodegradation. Utilizing response surface methodology and Fukui function analysis, the effects of various parameters on photocatalytic degradation rates, along with the associated pathways and intermediate products, have been thoroughly investigated. Toxicity assessments confirm the environmental safety of the treated effluents. Mechanistic studies show that the S-scheme heterojunction in the MCS/IS photocatalyst improves electron-hole separation, thereby enhancing photocatalytic performance. It is expected that this study will serve as a model for advancing the removal of emerging contaminants, further enhancing photocatalytic AOPs as sustainable water purification technologies.

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Facet-induced reduction directed AgBr/Ag0/TiO2{100} Z-scheme heterojunction for tetracycline removal Xiong Qi, Shi Quanquan, Wang Binli, Baiker Alfons, Li Gao 2025, 75:  164-179.  DOI: 10.1016/S1872-2067(25)64756-5 Abstract ( 35 )   HTML ( 1 )   PDF (6598KB) ( 6 )   Supporting Information Given their unique structure-dependent properties, strategically designing semiconductor-based photocatalysts, which expose highly reactive crystalline facets, is widely used to tune their performance. Herein, AgBr/Ag/TiO2{100} nanorods Z-scheme heterojunction composites were prepared via hydrothermal and in situ facet-induced reduction. Transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, electron paramagnetic resonance spectroscopy, and density functional theory calculations reveal that the selective exposure of TiO2{100} facets with abundant oxygen vacancies (OV) promotes the formation of metallic silver on the interfaces between AgBr and TiO2{100}. Metallic silver can mediate interfacial charge transfer by facilitating the photogenerated carrier recombination of the conduction band of TiO2{100} and the valence band of AgBr. As a result, a Z-scheme heterojunction is formed in AgBr/Ag/TiO2{100}. The AgBr/Ag/TiO2{100} exhibits faster degradation of tetracycline in aqueous solution compared to pristine AgBr, TiO2{101}, TiO2{100} and AgBr/TiO2{101} p-n heterojunctions. This is attributed to the effect of the Z-scheme heterojunction on prolonging the lifetime of photogenerated carriers, which is confirmed by femtosecond transient absorption spectroscopy. The photocatalytic mechanism and degradation pathways are discussed along with a toxicity assessment of the intermediates. Overall, this work develops a new approach for designing Z-scheme heterojunction photocatalysts via selective facet control of anatase TiO2.

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Sulfur electron bridge mediating CuInS2/CuS heterostructure for highly selective CO2 photoreduction to C2H4 Chen Hongjing, Li Yueying, Chen Min, Xie Zhongkai, Shi Weidong 2025, 75:  180-191.  DOI: 10.1016/S1872-2067(25)64751-6 Abstract ( 64 )   HTML ( 8 )   PDF (2457KB) ( 20 )   Supporting Information Photocatalytic reduction of CO2 into high-value C2H4 offers a promising pathway toward carbon neutrality. Due to the continuous 12-electron-proton coupled reactions and the mutual repulsion of reaction intermediates, achieving highly selective photocatalytic conversion of CO2 to C2H4 remains challenging. This work synthesized a CuInS2/CuS heterojunction photocatalyst mediated by a sulfur electron bridge via a one-step solvothermal method, achieving a high selectivity for C2H4 conversion (98.22%). The sulfur electron bridge minimized the contact energy barrier between CuInS2 and CuS to enhance photogenerated carrier separation efficiency, while the asymmetric active sites in CuInS2 effectively reduced mutual repulsion of reaction intermediates. This work develops a hybrid catalytic system enabling synergistic regulation of reaction kinetics and thermodynamics, offering an innovative strategy for highly selective photocatalytic CO₂-to-C2H4 production.

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Cobalt single atom-phosphate functionalized reduced graphene oxide/perylenetetracarboxylic acid nanosheet heterojunctions for efficiently photocatalytic H2O2 production Wang Qihang, Meng Li, Li Zhuo, Yang Zhuoran, Tang Yinan, Yu Lang, Li Zhijun, Sun Jianhui, Jing Liqiang 2025, 75:  192-203.  DOI: 10.1016/S1872-2067(25)64744-9 Abstract ( 81 )   HTML ( 2 )   PDF (3001KB) ( 27 )   Supporting Information The production of hydrogen peroxide (H2O2) via artificial photosynthesis using single-atom semiconductor photocatalysts represents a promising green and sustainable technology. However, its efficiency is still limited by sluggish water oxidation kinetics, poor photogenerated charge separation, and insufficient O2 adsorption and activation capabilities. Herein, uniformly dispersed single-atom catalysts (SACs) with a Co-N4 coordination structure have been synthesized by thermally transforming cobalt phthalocyanine (CoPc) assemblies pre-anchored on phosphate functionalized reduced graphene oxide (Co@rGO-P), and then used to construct heterojunctions with perylenetetracarboxylic acid (PTA) nanosheets for photocatalytic H2O2 production by an in-situ growth method. The optimized Co@rGO-P/PTA achieved an H2O2 production rate of 1.4 mmol g-1 h-1 in pure water, with a 12.9-fold enhancement compared to pristine PTA nanosheets exhibiting competitive photoactivity among reported perylene-based materials. Femtosecond transient absorption spectra, in-situ diffuse reflectance infrared Fourier transform spectra and theoretical calculations reveal that the exceptional performance is attributed to the enhanced electron transfer from PTA to rGO via the phosphate bridge and then to the Co-N4, and to the promoted O2 adsorption and activation at Co-N4 active sites. This work provides a feasible and effective strategy for designing highly efficient single-atom semiconductor heterojunction photocatalysts for H2O2 production.