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Band Edge Reorganization via Symmetry Constraints in Covalent Bonding Heterojunctions Boosts Photocatalytic Metronidazole Degradation 认领 引用
1
作者 Jing-Yu Ren Ying Hua +3 位作者 Xin-Yi Yang Shuai Wang Zhi-Rui Niu Yan-Zhong Zhen 《Rare Metals》 SCIE EI CAS CSCD 2026年第2期745-758,共14页
The covalent bonds at heterojunction interfaces enable more efficient charge carrier separation than traditional weakly coupled heterojunctions,with enhanced photocatalytic performance for organic wastewater purificat... The covalent bonds at heterojunction interfaces enable more efficient charge carrier separation than traditional weakly coupled heterojunctions,with enhanced photocatalytic performance for organic wastewater purification.The interfacial covalent bonds drive energy band reorganization,rendering the conventional independent band edge mechanism inadequate for explaining the photocatalytic behavior of covalent bonding heterojunctions,thereby impeding the rational design of high-performance covalent bonding heterojunction photocatalysts.This study constructs a covalent bonding ZnIn2S4/MgO (ZIS/MgO) heterojunction,which exhibits a 1.86-fold increase in the apparent kinetic constant for photocatalytic degradation of metronidazole(MNZ) compared to pristine ZIS.Comprehensive experimental characterization,density functional theory (DFT) calculations,and group theory analysis demonstrate that the orbital symmetry drives the merging and crossing of band edges in the ZIS/MgO.DFT calculations reveal a delocalized band edge distribution in the ZIS/MgO caused by band edge reorganization.The valence band maximum (VBM) is co-localized on both MgO and ZIS components,whereas the conduction band minimum(CBM) resides exclusively on ZIS.Photoelectrochemical measurements and time-dependent DFT (TDDFT) analyses prove that the ZIS/MgO heterojunction owns enhanced carrier spatial delocalization due to the delocalized band edge distribution,which,in turn,boosts the photocatalytic activity.This work provides novel insights into the band edge reorganization mechanism to guide the design and synthesis of high-performance covalent bonding heterojunction photocatalysts. 展开更多
关键词 band edge reorganization carrier spatial separation covalent bonding heterojunction heterojunction photocatalysis orbital symmetry
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Fabrication of S-scheme heterojunction between covalent organic frameworks and Ni-ZIF-8 and its photocatalytic hydrogen production performance 认领 引用
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作者 Xuan Zhang Lin Zhou +2 位作者 Teng Yan Xiaohu Zhang Hao Chen 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第1期200-212,共13页
Covalent organic frameworks(COFs)have garnered significant attention in photocatalysis owing to their exceptional light absorption capacities,tunable band structures,and high specific surface areas.However,the rapid r... Covalent organic frameworks(COFs)have garnered significant attention in photocatalysis owing to their exceptional light absorption capacities,tunable band structures,and high specific surface areas.However,the rapid recombination of photogenerated carriers in COFs remains a critical bottleneck limiting their practical application.In this study,a novel S-scheme heterojunction was constructed by integrating a Ni-doped zeolitic imidazolate framework-8(Ni-ZIF-8)with Py-COF,effectively addressing this challenge.Through precisely controlled synthesis,the heterojunction achieves efficient and stable material combination,which not only significantly enhances photogenerated charge separation efficiency and markedly reduces recombination rates,but also demonstrates outstanding catalytic performance(162.77 mmol·h-1·g-1)and cycling stability in hydrogen evolution reaction.This study provides new insights into the design of efficient ZIF/COF-based heterojunction catalysts.This study provides an important theoretical foundation for the design of high-performance photocatalytic materials with broad application prospects. 展开更多
关键词 Covalent organic frameworks Ni-doped zeolitic imidazolate framework S-scheme heterojunction Photocatalytic Hydrogen production
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Construction of S-scheme MnO2/BiOCl heterojunction boosting photocatalytic low-concentration peroxymonosulfate activation for contaminants removal 认领 引用
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作者 Jintao Dong Rui Zhang +6 位作者 Zhishuai Wang Shengqun Cao Lina Li Gaopeng Liu Bin Wang Yixuan Gao Jiexiang Xia 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第6期310-321,共12页
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-... 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·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 for1O2formation.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. 展开更多
关键词 S-scheme heterojunction Photocatalysis MnO2/BiOCl Peroxymonosulfate Pollutants removal
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PtSSe/AlN heterojunctions with favorable photogenerated currents and structural stability 认领 引用
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作者 Zhen Cui Lannan Yan +2 位作者 Yuqiao Ren Junliang Yao Chenxing Liu 《Chinese Physics B》 SCIE EI CAS CSCD 2026年第6期819-828,共10页
A comprehensive first-principles and density functional theory study was conducted to explore the band structure,differential charge redistribution,optical properties,and photoelectric detection characteristics of PtS... A comprehensive first-principles and density functional theory study was conducted to explore the band structure,differential charge redistribution,optical properties,and photoelectric detection characteristics of PtSSe/AlN heterojunctions.The results identify the PtSSe/AlN heterojunction as a structurally stable,type-Ⅱ semiconductor,demonstrating an indirect bandgap of 1.53 eV,and representing a typical van der Waals heterojunction capable of efficient electron–hole pair separation.The internal electric field induced by the interface serves to lower the barrier height,thus promoting carrier injection.The application of strain maintains the type-Ⅱ band alignment,ensuring high stability.Meanwhile,PtSSe/AlN heterojunctions have good light-harvesting capability in the ultraviolet to visible spectrum,exhibiting three pronounced absorption peaks within the visible spectral range.The self-powered photodetector based on this heterojunction achieves high photocurrent density under different polarized lights;when the incident light energy is 2.6 e V,the maximum value of the extinction coefficient is about 14.The results indicate the device's versatility for applications,including in photoelectric detectors,optical modulators,and sensors.This research provides theoretical foundations for developing novel photodetectors,establishes a robust basis for experimental studies and device fabrication,and holds promise for advancing high-performance multifunctional optoelectronic devices. 展开更多
关键词 PtSSe/AlN first principles heterojunction photodetector extinction ratio
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Carbon nitride-based single-molecular Van der Waals heterojunction for selective photocatalytic CO2reduction to CO 认领 引用
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作者 Hongjun Dong Chunhong Qu +5 位作者 Jiaming Li Deping Wang Min Zhang Zuoyi Liu Liqiu Zhang Chunmei Li 《Green Energy & Environment》 SCIE EI CAS CSCD 2026年第3期774-783,共10页
Single-molecular heterojunctions have demonstrated significant application potential in the fields of photocatalysis due to prominent photoelectric properties,while the charge transfer behavior still needs to be furth... Single-molecular heterojunctions have demonstrated significant application potential in the fields of photocatalysis due to prominent photoelectric properties,while the charge transfer behavior still needs to be further discussed.In this work,a fresh single-molecular Van der Waals heterojunction is fabricated through self-assembly of dibromo(1,10-phenanthroline-κN1,κN10)nickel(NiphenBr)molecules on the surface PCN nanosheets,which dramatically boosts the performance of selective photocatalytic CO2reduction to CO.This unique assembled architecture effectively regulates electronic band structure and promotes the interfacial transfer and separation of photogenerated carriers owing to theπ-πcoupling effect between NiphenBr and PCN.Meanwhile,the single-molecular dispersed NiphenBr molecules also prevent their aggregation on PCN under the strongπ-πinteraction,and further provide abundant single-atom active sites for CO2reduction reaction.Therefore,the average rate of photocatalytic reduction of CO2to CO for the optimal NiphenBr/PCN-1 sample reaches 5.46 and 2.73 times that of PCN and NiphenBr,respectively.This work opens a new avenue for the single-molecular heterojunction in the application of photocatalytic reactions. 展开更多
关键词 NiphenBr/PCN Single-molecular VdWs heterojunction Photocatalytic CO2reduction π-πinteraction
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Diamine-Mediated Synergistic Engineering of Orientation and Interfacial Field of 3D/1D Heterojunctions for Efficient Perovskite Photovoltaics 认领 引用
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作者 Yaobin Li Yunxuan Cao +14 位作者 Yu Zou Wenjin Yu Zhenhuang Su Zhuoer Cai Yueli Liu Qinyun Liu Hantao Wang Lefan Gong Yucheng Ye Rong Tang Yunan Gao Felix Thomas Eickemeyer Bo Qu Lixin Xiao Zhijian Chen 《Nano-Micro Letters》 SCIE EI CAS CSCD 2026年第9期1021-1034,共14页
The performance of three-dimensional(3D)perovskite solar cells(PSCs)is predominantly limited by interfacial non-radiative recombination and instability.Although low-dimensional(LD)interlayers,particularly two-dimensio... The performance of three-dimensional(3D)perovskite solar cells(PSCs)is predominantly limited by interfacial non-radiative recombination and instability.Although low-dimensional(LD)interlayers,particularly two-dimensional(2D)perovskites,are widely adopted for surface passivation,their heterogeneous n-values and quantum-well confinement often impede charge transport.One-dimensional(1D)perovskites offer a promising alternative due to their structural flexibility and superior passivation capabilities,yet their potential has been underexploited by challenges in controlled crystallization and ordered orientation.Here,we constructed a 3D/PDAI2/1D heterojunction through sequential deposition of propane-1,3-diammonium iodide(PDAI2)and 4-amidinopyridinium chloride(4APyCl).The pre-anchored PDAI2 not only provides field-effect passivation but also templates the subsequent vertical alignment of 1D Pb–I chains assembled with 4APyCl.This configuration establishes continuous out-of-plane charge transport channels,enabling effective surface defect passivation,favorable energy-level alignment,and enhanced interfacial carrier extraction.The resulting inverted PSCs achieved a champion power conversion efficiency of 25.8%and retained 85%of the initial performance after 1000 h of maximum power point tracking under 1-sun illumination.By demonstrating the critical role of molecular orchestration in LD interlayers,this work provides a blueprint for establishing structure–property relationships and guides the rational design of stable and efficient 3D/1D perovskite photovoltaics. 展开更多
关键词 Perovskite Solar cell 3D/1D heterojunction Oriented growth Field effect passivation
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Rational Design of Inverted F-Type Heterojunctions for Photocatalytic Emerging Contaminant Degradation 认领 引用
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作者 Yanxian Jin Yali Du +7 位作者 Huiqing Lv Sónia A.C.Carabineiro Chenglin Wu Min-Quan Yang Yu-Ming Zheng Xianqiang Xiong Zhangxin Chen Bo Weng 《Carbon Energy》 SCIE EI CAS CSCD 2026年第5期129-146,共18页
The development of efficient photocatalytic systems for antibiotic degradation remains hindered by the inherent limitations of conventional heterojunctions,particularly the rapid charge recombination associated with T... The development of efficient photocatalytic systems for antibiotic degradation remains hindered by the inherent limitations of conventional heterojunctions,particularly the rapid charge recombination associated with Type-I band alignments.Herein,we report an inverted F-type heterojunction composed of ZnWO4/In2S3(ZWO/IS)that delivers exceptional photocatalytic performance while preserving strong oxidation potentials.By using work function engineering,we establish a built-in electric field that facilitates asymmetric charge separation,with photogenerated electrons from directed ZWO to IS and holes retained in ZWO to drive oxidative reactions.This unique charge transfer mechanism is directly captured via in situ X-ray photoelectron spectroscopy(XPS),Kelvin probe force microscopy(KPFM),revealing a marked reduction in carrier recombination lifetime compared to pristine IS.The ZWO/IS heterojunction achieves outstanding degradation efficiency for tetracycline hydrochloride(TCH),with three distinct detoxification pathways elucidated through high-performance liquid chromatography-mass spectrometry(HPLC-MS)and density functional theory(DFT)calculations.Comprehensive toxicity assessments,including microbial viability tests,phytotoxicity assays,and mammalian cell studies,confirm complete detoxification,with degradation by-products exhibiting negligible developmental toxicity and mutagenicity.This work positions inverted F-type heterojunctions as transformative platforms for photocatalytic water treatment,effectively integrating interfacial band engineering,scalable reactor design,and process optimization to bridge the gap between mechanistic insight and real-world applications. 展开更多
关键词 antibiotic degradation In2S3 inverted F-type heterojunction photocatalysis ZnWO4
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Dual-site CuS-Co9S8 heterojunctions for efficient and selective glycerol electrooxidation 认领 引用
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作者 Yuwei Li Yuxin He +5 位作者 Zongyao Guo Jingyi Zhang Yizhi Wu Mingkun Jiang Shiyu Chen Dan Wu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第6期272-285,共14页
Electrocatalytic oxidation of surplus glycerol from biodiesel production is fundamentally limited by the competitive adsorption of glycerol and OH–ions on catalyst surfaces.To overcome this challenge,a CuS-Co9S_(8... Electrocatalytic oxidation of surplus glycerol from biodiesel production is fundamentally limited by the competitive adsorption of glycerol and OH–ions on catalyst surfaces.To overcome this challenge,a CuS-Co9S8heterojunction was fabricated via a two-step hydrothermal sulfidation method.This catalyst features spatially and functionally decoupled active sites,in which CuS domains preferentially adsorbs glycerol and Co9S8promotes OH–activation,thereby balancing surface reactant concentrations and suppressing oxygen evolution side reactions.In-situ Raman spectroscopy and theoretical calculations reveal that interfacial electron redistribution stabilizes high-valent cobalt species and enables dual-site cooperative reactivity.The resulting electrode delivers an industrially relevant current density of 200 mA cm–2at a low potential of 1.24 V(vs.RHE)with a Faradaic efficiency of 94.8%for formate at 1.5 V.In a flow-type membrane electrode assembly,stable operation over 100 h at 200 mA cm–2is achieved,yielding a formate production rate of~86.1 kg m–2.Techno-economic analysis indicates a net profit potential of~$775 per ton of glycerol processed.This study establishes a general dual-site design principle for overcoming adsorption competition in polyol electrooxidation,offering a scalable pathway for efficient biomass valorization. 展开更多
关键词 Electrocatalytic glycerol oxidation Heterojunction Sulfurization Co-adsorption Biomass valorization
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Atomic-level lattice matching in hexagonal WO3/TiO2S-scheme heterojunctions for high-efficiency selective photoelectrocatalytic glycerol-to-dihydroxyacetone conversion 认领 引用
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作者 Wanggang Zhang Haochen Xie +4 位作者 Hongliang Wang Rufeng Tian Lei Liu Jian Wang Yiming Liu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第3期161-173,共13页
This study developed a lattice-matching engineering strategy to construct atomic-level coherent interfaces in hexagonal WO3/TiO2S-scheme heterojunctions to boost photoelectrocatalytic glycerol(Gly)valorization.T... This study developed a lattice-matching engineering strategy to construct atomic-level coherent interfaces in hexagonal WO3/TiO2S-scheme heterojunctions to boost photoelectrocatalytic glycerol(Gly)valorization.Through precise annealing control,hexagonal WO3/TiO2achieved an ultra-low lattice mismatch(m)of 0.027%,significantly lower than the 2.30%mismatch of its monoclinic counterparts,thus inducing a strong built-in electric field(3.71 eV)and optimized S-scheme charge transfer.These features resulted in 90%suppressed carrier recombination,2.64-fold extended carrier lifetime,and enhanced secondary hydroxyl adsorption affinity(1.854 eV),collectively steering Gly oxidation toward high-value dihydroxyacetone with 35%selectivity(1.9-fold higher than that of monoclinic systems).The heterojunction also delivered a 21%Gly conversion rate(40%higher than its monoclinic counterparts),while maintaining>85%total C3-product selectivity and stability over 40 h.This study identified the atomic-scale interface coherence as a critical factor for synchronizing charge dynamics and surface reactions in biomass upgrading. 展开更多
关键词 Hexagonal WO3/TiO2 Glycerol valorization Photoelectrochemical S-scheme heterojunction Interface engineering
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CeO2/ZnO heterojunction as an efficient catalyst for electrocatalytic nitrogen reduction reaction via an“electron pump”effect 认领 引用
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作者 Jingxian Li Jun Wang +4 位作者 Guixi Wang Shulin Zhao Zhiyu Yang Xiaoxuan Wang Yi-Ming Yan 《Journal of Rare Earths》 SCIE EI CAS CSCD 2026年第2期698-703,共6页
The development of efficient catalysts for the electrocatalytic nitrogen reduction reaction(ENRR)is crucial for sustainable ammonia production.In this study,we report the synthesis and characterization of a CeO2/Zn... The development of efficient catalysts for the electrocatalytic nitrogen reduction reaction(ENRR)is crucial for sustainable ammonia production.In this study,we report the synthesis and characterization of a CeO2/ZnO heterojunction,demonstrating remarkable catalytic performance for ENRR.The heterostructure facilitates an“electron pump”effect,enhancing electron transfer and promoting nitrogen activation.The synthesized CeO2/ZnO was characterized using scanning electron microscopy(SEM),transmission electron microscopy(TEM),X-ray diffraction(XRD),X-ray photoelectron spectroscopy(XPS),ultraviolet photoelectron spectroscopy(UPS),along with other analytical techniques.The material exhibits remarkable performance in ENRR,achieving an NH3 yield of 60.21μg/(h·mgcat)at-0.2 V versus reversible hydrogen electrode(RHE)and a Faradaic efficiency of 11.48%at-0.2 V versus RHE with an aqueous 0.1 mol/L Li2SO4electrolyte.The enhanced performance is attributed to the synergistic interaction between CeO2and ZnO,which optimizes the electronic structure and surface properties.This research elucidates the catalytic mechanisms through which CeO2enhances the ENRR activity of ZnO,offering novel insights into the application of rare earth elements. 展开更多
关键词 Rare earths CeO2/ZnO heterojunction Electron pump Nitrogen reduction reaction Nitrogen activation
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Enhanced photocatalytic production of hydrogen and benzaldehyde over a dual-function ZnxCd1-xSy/FePS3S-scheme heterojunction 认领 引用
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作者 Rundong Chen Yuhang Zhang +3 位作者 Bingquan Xia Xianlong Zhou Yanzhao Zhang Shantang Liu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第1期123-134,共12页
Photocatalysis is deemed a green approach to sustainable energy conversion with great promise for addressing future energy challenges.However,traditional photocatalytic systems are often inhibited by rapid recombinati... Photocatalysis is deemed a green approach to sustainable energy conversion with great promise for addressing future energy challenges.However,traditional photocatalytic systems are often inhibited by rapid recombination of photogenerated electron-hole pairs and low light-harvesting efficiency.To overcome these challenges,an S-scheme heterojunction integrating ZnxCd1-xSy(ZCS)nanocrystals with FePS3(FPS)nanosheets was designed to facilitate both photocatalytic hydrogen evolution and the conversion of benzyl alcohol to benzaldehyde(BAD).The obtained ZCS/FPS-15(ZCSF-15)heterostructure exhibits remarkable visible-light-harvesting enhancement and charge separation efficiency,delivering a hydrogen evolution rate of 73.06 mmol g-1h-1and a BAD production rate of 46.68 mmol g-1h-1,corresponding to 22.34-and 53.65-fold performance enhancements,respectively,compared with that of bare ZCS.To reveal the charge transfer dynamics and clarify the reaction mechanisms,in-situ diffuse-reflectance Fourier-transform infrared spectroscopy was used to identify key oxidation intermediates,coupled with interfacial charge transfer dynamics probed using in-situ X-ray photoelectron spectroscopy and atomic force microscopy-Kelvin probe force microscopy.This work establishes a dual-function heterojunction model,offering valuable insights into how to design S-scheme heterojunctions for simultaneous green fuel generation and selective organic synthesis. 展开更多
关键词 S-scheme heterojunction Photocatalysis Hydrogen evolution Solar energy conversion Chemical valorization
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CoOOH@COFs S-scheme heterojunction for efficient triclosan degradation in photocatalytic-peroxymonosulfate activation system:Enhanced interfacial electron transfer mechanism 认领 引用
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作者 Lu Zhang Baohua Wang +7 位作者 Wei Yang Lunan Ju Zihan Fu Lei Zhao Yunqi Jiang Hongyan Wang Xiansheng Wang Cong Lyu 《Chinese Chemical Letters》 SCIE CAS CSCD 2026年第1期570-576,共7页
Triclosan(TCS) poses harmful risks to ecosystems and human health owing to its endocrine-disrupting effects.Therefore,developing an efficient and sustainable technology to degrade TCS is urgently needed.Herein,cobalt ... Triclosan(TCS) poses harmful risks to ecosystems and human health owing to its endocrine-disrupting effects.Therefore,developing an efficient and sustainable technology to degrade TCS is urgently needed.Herein,cobalt oxyhydroxide @covalent organic frameworks(CoOOH@COFs) S-scheme heterojunction was synthesized,which combined the visible-light-driven photocatalysis and peroxymonosulfate(PMS) activation to synergistically generate abundant reactive oxygen species(ROSs) for TCS degradation.The degradation efficiency of TCS reached 100 % within 8 min in the Vis-CoOOH@COFs/PMS system,and the reaction rate constant was 0.456 min-1,which was nearly 1.90 and 2.85 times that of single Co OOH and COFs,and2.36 times that under dark condition,respectively.The density functional theory(DFT) calculations confirmed the energy band bending of CoOOH@COFs and S-scheme charge transport from COFs to Co OOH.Both experimental and theoretical analyses indicated that Co OOH@COFs in photocatalytic-PMS activation systems synergistically facilitated photo-generated carrier separation,enhanced interfacial electron transfer,accelerated PMS activation,and generated multiple ROSs.In particular,photogenerated electrons(e-)accelerated the Co(Ⅲ)/Co(Ⅱ) redox cycle,while the PMS captured the e-,which significantly decreased the charge combination of Co OOH@COFs.Radicals(O2·-,·OH,and SO4·-) and non-radicals(such as 1O2,h+,and e-) were both presented in the Vis-CoOOH@COFs/PMS system,with O2- playing a dominant role in TCS degradation.Furthermore,the pathway of TCS degradation and toxicity of intermediates were explored by DFT calculation and transformation product identification.Importantly,the environmentally friendly CoOOH@COFs S-scheme heterojunction exhibited excellent stability and reusability.In conclusion,this study innovatively designed an S-scheme heterojunction in the photocatalytic-PMS activation system,providing guidance and theoretical support for efficient and eco-friendly wastewater treatment. 展开更多
关键词 Covalent organic frameworks Cobalt oxyhydroxide S-scheme heterojunction Interfacial electron transfer Peroxymonosulfate activation
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Synergistic Hydrogen Evolution and Methanol Oxidation Over BiOIO3/Zn3In2S6 Heterojunction Photocatalyst via Interfacial Charge Steering 认领 引用
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作者 Rundong Chen Xiaoxiao Deng +7 位作者 Junchao Yang Lin Chen Lin He Bingquan Xia Xianlong Zhou Bo You Shantang Liu Yanzhao Zhang 《Rare Metals》 SCIE EI CAS CSCD 2026年第7期163-175,共13页
Because of superior transportability and high energy capacity,methanol is regarded as a potential hydrogen carrier.Photocatalytic methanol dehydrogenation offers a sustainable and cost-effective method for releasing h... Because of superior transportability and high energy capacity,methanol is regarded as a potential hydrogen carrier.Photocatalytic methanol dehydrogenation offers a sustainable and cost-effective method for releasing hydrogen.Conventional photocatalysts face challenging obstacles,including the low catalytic efficiency and rapid recombination of charge carriers.To overcome these challenges,noble-metal-free S-scheme heterojunctions were constructed by integrating Zn3In2S6(ZIS)microspheres with BiOIO3(BIO)nanosheets in this work.The ZIS/BIO(ZBX)heterojunction reaches a hydrogen evolution rate of 3.46 mmol g−1 h−1 in a 20 mL reaction mixture(75 vol%methanol-water)under light.Through advanced characterization tools,the interfacial charge transfer behaviors and reaction pathways are investigated systematically.Revealed by mechanistic studies,electrons in ZIS with strong reducing power and holes in BIO are preserved within the ZBX heterojunction,enabling efficient proton reduction and selective methanol oxidation to formaldehyde.Integrating hydrogen production with value-added chemical synthesis under mild conditions,this work offers a new approach for designing inexpensive photocatalysts and advancing widespread applications for potential escalation and industrialization. 展开更多
关键词 hydrogen methanol dehydrogenation photocatalysis S-scheme heterojunction
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Constructing Fe3N/MnO heterojunction via heteroatom doping for degrading dye wastewater by heterogeneous electro-fenton system 认领 引用
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作者 Yi Wang Yunliang Fan +8 位作者 Xiaocong Liu Fuping Zhang Hangdao Qin Bo Xing Xingyong Liu Chaoting Fu Yan Luo Guo Yang Ning Gou 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2026年第8期73-80,共8页
Electro-Fenton(EF)has been recognized as a viable and promising strategy for dye degradation.However,EF cathode materials with both high oxygen reduction reaction(ORR)activity and H2O2 selectivity remains a long... Electro-Fenton(EF)has been recognized as a viable and promising strategy for dye degradation.However,EF cathode materials with both high oxygen reduction reaction(ORR)activity and H2O2 selectivity remains a longterm research objective.Herein,a N-MnFe-5%H2 catalyst was synthesized by hydrothermal method combined with H2 high-temperature calcination reduction method.The N-MnFe-5%H2 catalyst was excellent electrocatalytic performance,stability and applicability,which achieved a high degradation rate(100%)within 90 min under acidic conditions of pH 3 for Rhodamine B(Rh B).Combined with XPS and TEM analyses,Fe3N and MnO heterostructures existed within individual nanoparticles of N-MnFe-5%H2.The synergistic interaction between electron-rich Fe3N and electron-deficient MnO on Fe3N/MnO heterojunction interface enhanced both 2e-ORR activity,selectivity and H2O2 activated,enabling efficient degradation of diverse dye pollutants.This study provides a novel heterostructure interface modification approach for designing modified transition metal-based cathode materials for high-efficiency dye wastewater treatment by EF. 展开更多
关键词 Electro-Fenton H 2 O 2 selectivity Heterojunction Synergistic interaction Rhodamine B(Rh B)
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Piezoelectric-enhanced photocatalytic purification of wastewater containing tetracycline via MoS2/ZnO heterojunction 认领 引用
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作者 YANG Chen-yu YU Ting-ting +3 位作者 HE Yu-qi LI Jia-jun ZHANG Yong-hang JIANG Ji-zhou 《Journal of Central South University》 SCIE EI CAS CSCD 2026年第4期1652-1668,共17页
Piezoelectric enhanced photocatalytic purification of polluted wastewater is currently one of the better strategies for environmental pollution control.This work proposes a novel and efficient approach for the purific... Piezoelectric enhanced photocatalytic purification of polluted wastewater is currently one of the better strategies for environmental pollution control.This work proposes a novel and efficient approach for the purification of tetracycline hydrochloride(TC)wastewater via core-shell MoS2/ZnO heterojunction activated by peroxodisulfate(PDS),where the MoS2/ZnO heterojunction was fabricated via a hydrothermal route.By exploiting the intrinsic piezoelectric properties of both MoS2 and ZnO,the heterojunction generates an internal electric field that facilitates the separation of photogenerated electron-hole pairs,thereby accelerating the photocatalytic purification.Under the optimized conditions,the TC purification efficiency can reach 91.2% with the collaborative assistance of PDS activation,and the MoS2/ZnO heterojunction also exhibited excellent recyclability,maintaining a purification efficiency of 90.76% over five cycles.The MoS2/ZnO heterojunction demonstrated robust photocatalytic activity under visible-light irradiation and aeration,with the purification kinetics conforming to a pseudo-first-order model.And the purification pathways of TC were systematically investigated,and the dominant reactive oxygen species involved in the process were identified.This work elucidates the underlying piezoelectric-photocatalytic mechanism and provides a sustainable strategy for the efficient removal of antibiotic contaminants from aqueous environments,offering significant potential for practical environmental remediation applications. 展开更多
关键词 piezoelectric photocatalysis tetracycline hydrochloride peroxodisulfate MoS2/ZnO heterojunction
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S-scheme heterojunctions of metal-doped ZnIn2S4/TpPa-1:Regulating H adsorption/desorption and internal electric field for boosted dual-functional photocatalysis 认领 引用
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作者 Shaodan Wang Heng Yang +3 位作者 Lijun Xue Jianjun Zhang Shuxin Ouyang Lili Wen 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第1期159-173,共15页
Cooperative coupling of photocatalytic hydrogen generation with oxidative organic synthesis is promising in simultaneously producing sustainable energy and value-added chemicals.However,the photocatalytic activity is ... Cooperative coupling of photocatalytic hydrogen generation with oxidative organic synthesis is promising in simultaneously producing sustainable energy and value-added chemicals.However,the photocatalytic activity is constrained by restricted redox potentials and insufficient photocarrier separation and transfer.Herein,we construct S-scheme heterojunctions based on metal-doped ZnIn2S4 and covalent organic frameworks,denoted as M-ZIS/TpPa-1(M=Ni or Mo).Theoretical calculations demonstrated that Mo-ZIS possess optimum H adsorption Gibbs free energies,deeper downshift of sulfur p-band center and higher integrated crystal orbital Hamilton population(ICOHP)value than Ni-ZIS and ZIS to optimize H adsorption/desorption dynamics.Besides,metal-doping reasonably enhanced the interfacial charge transfer in heterostructures,identifying the enlarged internal electric field(IEF)in Mo-ZIS/TpPa-1 than Ni-ZIS/TpPa-1 and ZIS/TpPa-1.Moreover,experimental explorations of photoelectrochemical measurements,femtosecond transient absorption spectroscopy,in-situ irradiated X-ray photoelectron spectroscopy and electron paramagnetic resonance verified the facilitated photocarrier separation and migration in metal-doped S-scheme heterojunctions.Ultimately,Mo0.01-ZIS/TpPa-1 exhibited visible-light driven H2 evolution rate of 1648μmol g-1 h-1 and N-benzylidenebenzylamine formation rate of 1812μmol g-1 h-1,better than Ni0.048-ZIS/TpPa-1,and superior to parent ZIS/TpPa-1.This work might provide insights into the modulation of H adsorption/desorption behavior and IEF within S-scheme heterostructures via rational metal-doping strategy for efficient dual-functional photocatalysis. 展开更多
关键词 Covalent organic frameworks Metal-doped ZnIn2S4 S-scheme heterojunction H adsorption/desorption Internal electric field Dual-functional photocatalysis
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Programmable mixed-kernel based on MoTe2/MoS2heterojunction for support vector machine learning 认领 引用
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作者 Xinyu Huang Jiapeng Du +3 位作者 Langlang Xu Lei Tong Xiangxiang Yu Lei Ye 《Journal of Semiconductors》 EI CAS CSCD 2026年第3期110-116,共7页
The von Neumann bottleneck in conventional computing architectures presents a significant challenge for data-inten-sive artificial intelligence applications.A promising approach involves designing specialized hardware... The von Neumann bottleneck in conventional computing architectures presents a significant challenge for data-inten-sive artificial intelligence applications.A promising approach involves designing specialized hardware with on-chip parameter tunability,which directly accelerates machine learning functions.This work demonstrates a continuously tunable mixed-kernel function physically realized within a van der Waals heterostructure.We designed and fabricated a MoTe2/MoS2type-Ⅱvertical heterojunction phototransistor,which exhibits a non-monotonic,Gaussian-like optoelectronic response owing to its unique inter-layer charge transfer mechanism.This intrinsic physical behavior directly maps to a mixed-kernel function combining Gaussian and Sigmoid characteristics.Furthermore,the hardware kernel can be continuously modulated by in-situ tuning of external opti-cal stimuli.The mixed-kernel exhibited exceptional performance,achieving precision,accuracy,and area under the curve(AUC)values of 95.8%,96%,and 0.9986,respectively,significantly outperforming conventional kernels.By successfully embedding a complex,adaptable mathematical function into the intrinsic physical properties of a single device,this work pioneers a novel pathway toward next-generation,energy-efficient intelligent systems with hardware-level adaptability. 展开更多
关键词 programmable mixed-kernel heterojunction support vector machine
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Constructing highly efficient Z⁃scheme MIL⁃101(Fe)/Cu2O heterojunction photocatalysts by interface coupling and their mechanism for tetracycline degradation 认领 引用
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作者 WANG Junli JING Miaomiao +4 位作者 LIU Danyang DAI Yurun ZHAO Qiang LI Zuopeng GUO Yong 《无机化学学报》 SCIE CAS CSCD 北大核心 2026年第7期1555-1565,共11页
A series of MIL-101(Fe)/Cu2O heterojunction photocatalysts was successfully constructed by coupling highly active dodecahedral Cu2O with MIL-101(Fe)through a co-precipitation method.The catalytic performance of ... A series of MIL-101(Fe)/Cu2O heterojunction photocatalysts was successfully constructed by coupling highly active dodecahedral Cu2O with MIL-101(Fe)through a co-precipitation method.The catalytic performance of these materials was systematically evaluated under visible light using tetracycline as the target pollutant.The results indicated that when the mass fraction of MIL-101(Fe)was 20%,the composite material exhibited the best catalytic performance,with a tetracycline degradation rate of up to 87.37%after 100 min of illumination,significantly enhancing the photocatalytic degradation efficiency.The significant improvement in photocatalytic performance was mainly attributed to the tight interface coupling between the two components.Transient photocurrent response and electrochemical impedance spectroscopy(EIS)demonstrated that the introduction of MIL-101(Fe)greatly enhanced the electron conduction ability of the composite system and accelerated charge migration.On the other hand,X-ray diffraction(XRD),X-ray photoelectron spectroscopy(XPS),transmission electron microscopy(TEM),UV-Visible diffuse reflectance spectra(UV-Vis DRS),and Mott-Schottky characterizations,combined with electron paramagnetic resonance(EPR)tests,confirmed the formation of an effective Z-scheme heterojunction between the two components.This Z-scheme heterojunction photocatalyst not only promotes the spatial separation of photogenerated electron-hole pairs but also retains the stronger redox ability of the composite material,thereby synergistically achieving efficient degradation of pollutants. 展开更多
关键词 photocatalysis interface coupling MIL-101(Fe)/Cu2O heterojunction Z-type mechanism antibiotic degradation
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High-Efficiency S-Scheme Bi₄O₅IBr/Bi₅O₇I₀.₇Br₀.₃ Double Solid Solution Heterojunction Photocatalyst for Levofloxacin Degradation via Optimized Carrier Dynamics 认领 引用
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作者 Yangwen Xia Shengli Chen +2 位作者 Xiaodong Zhu Zhenxing Ren Wei Feng 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2026年第3期321-332,共12页
The remediation of antibiotic-polluted water demands advanced photocatalytic systems with high efficiency and stability.This study constructs a novel double solid solution S-scheme heterojunction by coupling Bi₄O₅IBr ... The remediation of antibiotic-polluted water demands advanced photocatalytic systems with high efficiency and stability.This study constructs a novel double solid solution S-scheme heterojunction by coupling Bi₄O₅IBr with Bi₅O₇I₀.₇Br₀.₃(BOIB)for the degradation of levofloxacin(LEV).The pivotal element of this design is the internal electric field(IEF)induced by the significant work function difference between the two solid solution components,as unequivocally confirmed by density functional theory(DFT)calculations.This IEF actively orchestrates the S-scheme charge transfer pathway,which was directly verified by a suite of photoelectrochemical analyses:significantly quenched photoluminescence and shortened carrier lifetime attest to the efficient interface recombination of useless charges,while concurrently,a dramatically enhanced photocurrent response and decreased electrochemical impedance signal the successful spatial separation of powerful electrons and holes.This optimized carrier dynamics culminates in exceptional photocatalytic performance,achieving 88.4% degradation of levofloxacin under visible light.Furthermore,the degradation mechanism was deciphered to involve a synergistic action of multiple reactive species,where S-scheme derived charges generate ·O₂⁻/·OH while an energy transfer pathway yields singlet oxygen(¹O₂),as definitively identified by EPR spectroscopy.Coupled with outstanding stability(82.0%activity retention after 5 cycles),this work provides a mechanistic blueprint and a highly promising candidate for designing advanced photocatalytic systems for practical water purification. 展开更多
关键词 Bi₄O₅IBr/Bi₅O₇I₀.₇Br₀.₃ levofloxacin photocatalytic degradation S-scheme heterojunction
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Interface engineering of covalent β-ketoenamine-bridged S-scheme heterojunction for synergistic solar-powered CO2-to-CO conversion paired with selective alcohol oxidation 认领 引用
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作者 Haopeng Jiang Jinhe Li +3 位作者 Xiaohui Yu Huilong Dong Weikang Wang Qinqin Liu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第1期113-122,共10页
To address persistent challenge of charge recombination in semiconductor photocatalysis,we engineered an S-scheme heterojunction via covalentβ-ketoenamine bridges between zirconium-based MOFs and triazine-COFs(Zr-BTB... To address persistent challenge of charge recombination in semiconductor photocatalysis,we engineered an S-scheme heterojunction via covalentβ-ketoenamine bridges between zirconium-based MOFs and triazine-COFs(Zr-BTB-COF).This dual-functional system pioneered a“one-photon,two-value”strategy for simultaneous CO2-to-CO reduction and 4-methoxybenzyl alcohol-to-anisaldehyde oxidation,enabling solar-driven carbon refineries.Synergistic in-situ XPS analysis and density functional theory calculations unambiguously validated the S-scheme charge transfer mechanism.The covalent interface overcame lattice mismatch constraints while Fermi-level alignment generated an enhanced built-in electric field(9.8 times stronger than pristine Zr-BTB-NH2),achieving ultrafast charge separation.Low-energy carrier recombination through theβ-ketoenamine bridge preserved high-potential carriers(-1.61 V for CO2reduction;+2.22 V for alcohol oxidation).Critically,this architecture reduced the activation energy barrier for the rate-limiting*COOH→*CO step toΔG=0.65 eV,a 42%reduction versus isolated Zr-BTB-NH2.Through concerted thermodynamic and kinetic optimization,the covalent Zr-BTB-COF achieved high CO and anisaldehyde yields(71.9 and 44.7μmol·g-1·h-1)with internal quantum efficiency of 3.75%(365 nm).This bond-resolved interface engineering paradigm establishes a new design framework for synchronizing carbon-neutral cycles with high-value chemical synthesis. 展开更多
关键词 S-scheme heterojunction Covalentβ-ketoenamine bridge Photocatalytic CO2reduction
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