IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-03-14 DOI: 10.1016/j.cjsc.2026.100925

Yue Zhao, Shu Lin, Kezhen Qi, Li Zhao

{"title":"Ternary sulfide/triazinyl COF S-scheme photocatalyst: Enhanced H2O2 production and fs-TA mechanistic study","authors":"Yue Zhao, Shu Lin, Kezhen Qi, Li Zhao","doi":"10.1016/j.cjsc.2026.100925","DOIUrl":"10.1016/j.cjsc.2026.100925","url":null,"abstract":"<div><div>The construction of heterojunctions to delay photogenerated electron (e−) and hole (h+) recombination by integrating the advantages of ternary sulfides and two-dimensional (2D) planar covalent organic frameworks (COFs) is an effective strategy for enhancing photocatalytic performance. In this work, CdIn2S4/COF (CIS–COF) composites with an S-scheme heterostructure were fabricated via a self-assembly method. The CIS–COF composites combine the broad light absorption and high specific surface area of COFs with the strong conduction band (CB) reduction capability of CIS, leading to efficient charge separation through the S-scheme mechanism. Compared with pristine CIS (4669.8 μmol g−1 h−1) and COF (1729.8 μmol g−1 h−1), CIS–COF achieved a markedly higher hydrogen peroxide (H2O2) yield of 11889.4 μmol g−1 h−1. Electron paramagnetic resonance (EPR) analysis revealed that superoxide and hydroxyl radicals were the dominant reactive species. The interfacial charge transfer pathway was elucidated using in-situ light-illuminated X-ray photoelectron spectroscopy (XPS), Kelvin probe force microscopy (KPFM), and femtosecond transient absorption spectroscopy (fs-TA). Ultraviolet photoelectron spectroscopy (UPS) confirmed Fermi level alignments consistent with an S-scheme configuration, supporting the proposed photocatalytic mechanism. The enhanced performance is attributed to the built-in electric field at the heterojunction interface, which promotes directional charge transfer and suppresses recombination. This study highlights the crucial role of COFs in constructing efficient S-scheme heterostructures providing new insights into photogenerated carrier dynamics for high-performance photocatalytic H2O2 production.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 7","pages":"Article 100925"},"PeriodicalIF":10.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148558573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

S-scheme GQDs/Bi24O31Br10 heterojunction boosts photocatalytic H2O2 production and tetracycline degradation S-scheme GQDs/Bi24O31Br10异质结促进光催化H2O2生成和四环素降解

IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-02-07 DOI: 10.1016/j.cjsc.2026.100891

Mengqing Li, Changzhao Chen, Qishen Wang, Kai Dai

{"title":"S-scheme GQDs/Bi24O31Br10 heterojunction boosts photocatalytic H2O2 production and tetracycline degradation","authors":"Mengqing Li, Changzhao Chen, Qishen Wang, Kai Dai","doi":"10.1016/j.cjsc.2026.100891","DOIUrl":"10.1016/j.cjsc.2026.100891","url":null,"abstract":"<div><div>GQDs/Bi24O31Br10 S-scheme heterojunction composite was successfully constructed via a hydrothermal method and its bifunctional performance in photocatalytic tetracycline (TC) degradation and hydrogen peroxide (H2O2) production was systematically evaluated. Results demonstrate that the optimized composite exhibits excellent activity in both reactions. It achieves a TC degradation rate of 88.5% within 20 min, and a H2O2 production yield of 104.53 μM within the same time, which is 4.2 times that of pure Bi24O31Br10. Mechanism studies reveal that the superoxide radical serves as the key reactive species, acting as both a crucial intermediate for H2O2 synthesis and the dominant active species for TC degradation. The built-in electric field at S-scheme heterojunction interface enables efficient spatial separation of photogenerated carriers. Highly reductive electrons accumulate on graphene quantum dots (GQDs) to promote the two-step single-electron reduction of O2 for H2O2 generation, while strongly oxidative holes remain on Bi24O31Br10 to maintain degradation capability. This work not only develops an efficient and stable bifunctional photocatalyst but also elucidates at the microscopic scale how the S-scheme heterojunction synergistically drives different reactions through precise regulation of charge transfer pathways. It thus provides a theoretical foundation and practical guidance for designing novel photocatalytic systems for environmental remediation and green synthesis.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 7","pages":"Article 100891"},"PeriodicalIF":10.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148558571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Hydroxyl-functionalized Ni7-cluster-based MOF for cost-effective acetylene separation 基于羟基功能化ni7簇的低成本乙炔分离MOF

IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-03-27 DOI: 10.1016/j.cjsc.2026.100926

Yaqing Fan, Jiexi Guo, Rizhao Zhang, Bao Li, Jia Li

{"title":"Hydroxyl-functionalized Ni7-cluster-based MOF for cost-effective acetylene separation","authors":"Yaqing Fan, Jiexi Guo, Rizhao Zhang, Bao Li, Jia Li","doi":"10.1016/j.cjsc.2026.100926","DOIUrl":"10.1016/j.cjsc.2026.100926","url":null,"abstract":"<div><div>Designing adsorbents for the efficient separation of challenging gas pairs, such as C2H2/C2H4 and C2H2/CO2, is a crucial yet demanding goal in separation science. Here, we implemented a pore-engineering strategy to tailor the pore environment of a metal-organic framework (MOF) via functional groups, thereby enhancing its C2H2/C2H4 and C2H2/CO2 selectivity performance. The introduction of hydroxyl (–OH) groups into Ni7-MOF not only reduces pore dimensions but also promotes a multitude of guest-host interactions within the confined pore environment. The hydroxyl-functionalized Ni7–OH demonstrates high selectivity for C2H2 over C2H4 and CO2 between 273 and 308 K. Dynamic breakthrough experiments further confirm its dual-functional capability. Compared to Ni7-MOF, Ni7–OH delivers superior ethylene-purification efficiency, while additionally enabling highly effective C2H2/CO2 separation, allowing high-purity C2H2 (> 99.9%) to be recovered through mild temperature-swing desorption. The introduction of hydroxyl groups fine-tunes the binding environment, differentially strengthening the key C–H⋯Ni interaction that favours C2H2 over C2H4 and CO2, as supported by density functional theory (DFT) calculations. With its excellent stability, regeneration ability, and balanced performance, Ni7–OH represents a promising adsorbent for energy-efficient C2H2 removal from C2H4 streams and C2H2 recovery from C2H2/CO2 mixtures.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 7","pages":"Article 100926"},"PeriodicalIF":10.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148558574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Highly selective glycerol electrooxidation assisted hybrid water electrolysis using a trifunctional heterojunction CoP/(Fe0.25Co0.75)3N catalyst 采用三功能异质结CoP/(Fe0.25Co0.75)3N催化剂进行高选择性甘油电氧化辅助杂化水电解

IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-03-09 DOI: 10.1016/j.cjsc.2026.100922

Yuxiang Tang, Yong Zhang, Wenjun Qin, Xiaolin Wei, Yuxue Mo, Haiqing Zhou

{"title":"Highly selective glycerol electrooxidation assisted hybrid water electrolysis using a trifunctional heterojunction CoP/(Fe0.25Co0.75)3N catalyst","authors":"Yuxiang Tang, Yong Zhang, Wenjun Qin, Xiaolin Wei, Yuxue Mo, Haiqing Zhou","doi":"10.1016/j.cjsc.2026.100922","DOIUrl":"10.1016/j.cjsc.2026.100922","url":null,"abstract":"<div><div>Electrochemical water splitting represents a pivotal technology for sustainable hydrogen production, yet its widespread implementation is hindered by the kinetically sluggish oxygen evolution reaction (OER) at the anode, which requires prohibitively high overpotentials. To address this critical challenge, here we present a novel heterostructure CoP/(Fe0.25Co0.75)3N catalyst system coupled with glycerol oxidation as an alternative anodic reaction. The CoP/(Fe0.25Co0.75)3N catalyst demonstrates exceptional hydrogen evolution reaction (HER) performance, achieving a remarkably low overpotential of 41.4 mV at 10 mA cm−2 in 1 M KOH. More importantly, when applied to the glycerol oxidation reaction (GOR) as an alternative to the conventional OER, the catalyst requires substantially lower potentials of 1.26 and 1.42 V to reach current densities of 50 and 500 mA cm−2, highlighting its superior thermodynamic and kinetic activity. The stable Co(III) active sites in the CoP/(Fe0.25Co0.75)3N anode enable highly selective glycerol electrooxidation in a GOR-assisted hybrid electrolyzer, simultaneously facilitating hydrogen production and the generation of high-value formic acid (FA) with outstanding long-term stability (> 130 h at 20 mA cm−2). Furthermore, in-situ XPS and EIS analysis reveals that the CoP/(Fe0.25Co0.75)3N is rapidly reconstructed into metal oxides, forming dynamically stable CoOOH species during the OER or GOR process.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 7","pages":"Article 100922"},"PeriodicalIF":10.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Organic-inorganic zinc halide multiferroic designed by tetrahedral halogen engineering 采用四面体卤素工程设计有机-无机卤化锌多铁体

IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-03-24 DOI: 10.1016/j.cjsc.2026.100937

Ying Wang, Hong-Zhi Hu, Hao-Fei Ni, Guo-Tao Bai, Lei Pan, Hao-Ran Chen, Xiao-Xiao Chen, Lian-Jie Wu, Zunqi Liu, Zhi-Xu Zhang, Da-Wei Fu

{"title":"Organic-inorganic zinc halide multiferroic designed by tetrahedral halogen engineering","authors":"Ying Wang, Hong-Zhi Hu, Hao-Fei Ni, Guo-Tao Bai, Lei Pan, Hao-Ran Chen, Xiao-Xiao Chen, Lian-Jie Wu, Zunqi Liu, Zhi-Xu Zhang, Da-Wei Fu","doi":"10.1016/j.cjsc.2026.100937","DOIUrl":"10.1016/j.cjsc.2026.100937","url":null,"abstract":"<div><div>Multiferroic materials that combine ferroelectricity and ferroelasticity can exhibit switchable spontaneous polarization/strain responses, bringing potential applications in new intelligent actuators, sensors and memory devices. However, due to the strict requirements for polar crystal symmetry and specific structural phase transitions, organic-inorganic halide multiferroics remain very rare, with zinc-based ones constituting a blank. Here, by implementing halogen engineering, we successfully designed and synthesized a zinc-based hybrid multiferroic material (CTA)2ZnI4 (CTA = cyanomethyltriethylammonium), which undergoes a mm2Fm-type ferroic phase transition at Curie temperature of 404 K. The halogen substitution strategy on ZnX4 tetrahedra effectively regulates the weak molecular interactions between organic and inorganic components, not only significantly increasing the Curie temperature by 55 K, but also successfully inducing ferroelectric and ferroelastic properties. To our knowledge, (CTA)2ZnI4 is the first case of zinc-based organic-inorganic halide multiferroics to date. This work provides a valuable reference for designing hybrid multiferroics towards multi-modal information processing applications.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 7","pages":"Article 100937"},"PeriodicalIF":10.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent progress in amorphous metal halides for optoelectronics 光电子用非晶金属卤化物研究进展

IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-03-06 DOI: 10.1016/j.cjsc.2026.100920

Shun-Shun Li, Kaifeng Wu, Pengfei Cheng

{"title":"Recent progress in amorphous metal halides for optoelectronics","authors":"Shun-Shun Li, Kaifeng Wu, Pengfei Cheng","doi":"10.1016/j.cjsc.2026.100920","DOIUrl":"10.1016/j.cjsc.2026.100920","url":null,"abstract":"<div><div>Amorphous metal halides (AMHs) have recently emerged as a unique class of disordered materials that combine structural amorphousness with highly tunable optoelectronic properties, offering compelling advantages over their crystalline counterparts. This review summarizes recent progress in extrinsic and intrinsic amorphization strategies, including composite integration, melt-quenching, and molecular design approaches. Emphasis is placed on the structural characteristics of AMHs, revealed by advanced characterization techniques, and on the role of local coordination disorder and dynamic bonding motifs in governing unconventional optical behaviors such as broadband emission and enhanced photostability. By integrating insights from thermal analysis, spectroscopy, and molecular simulations, key relationships among amorphization pathways, microstructure evolution, and functional performance are critically assessed. Finally, major challenges, particularly those related to operational stability and scalable processing, are discussed, and future research directions are proposed to advance AMHs toward practical applications in photonics, scintillation, and information storage. This review highlights how the synergy between rational amorphization chemistry and the integration of advanced characterization with simulations can accelerate the transition of AMHs from laboratory-scale demonstrations to viable optoelectronic platforms.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 7","pages":"Article 100920"},"PeriodicalIF":10.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Topology-symmetry analysis and structure prediction in nonlinear optical AB4O6F (A = Na, K, Rb, Cs, NH4) and AAlB3O6F (A = K, Rb, Cs) polytypes 非线性光学AB4O6F （A = Na， K, Rb, Cs, NH4）和AAlB3O6F （A = K, Rb, Cs）多型的拓扑对称性分析与结构预测

IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-03-12 DOI: 10.1016/j.cjsc.2026.100924

Olga Reutova, Wenqi Jin, Congwei Xie, Junjie Li, Zhihua Yang, Xueling Hou, Shilie Pan

{"title":"Topology-symmetry analysis and structure prediction in nonlinear optical AB4O6F (A = Na, K, Rb, Cs, NH4) and AAlB3O6F (A = K, Rb, Cs) polytypes","authors":"Olga Reutova, Wenqi Jin, Congwei Xie, Junjie Li, Zhihua Yang, Xueling Hou, Shilie Pan","doi":"10.1016/j.cjsc.2026.100924","DOIUrl":"10.1016/j.cjsc.2026.100924","url":null,"abstract":"<div><div>Topology-symmetry analysis based on order-disorder (OD) theory for polytypic structures is a useful tool for understanding structure-property relationships, and it could serve as a basis for structure predictions and materials design. This approach systematically characterizes structural fragments and their stacking sequences through partial symmetry operations. Here, the nonlinear optical (NLO) fluorooxoborate family AB4O6F (A = Na, K, Rb, Cs, NH4) and the alkali-aluminum borate fluorides AAlB3O6F (A = K, Rb, Cs) are investigated within OD theory framework and described via symmetry groupoids. By enumerating admissible stacking operations, we derive several hypothetical maximum degree of order (MDO) polytypes for NaB4O6F, RbB4O6F, CsB4O6F, CsKB8O12F2, CsAlB3O6F and RbAlB3O6F. New noncentrosymmetric (NCS) polytype of RbB4O6F (sp.gr. Pnn2) and centrosymmetric (CS) polytype of RbAlB3O6F (sp.gr. P21/с) are predicted. Furthermore, we discuss the influence of layer symmetry and stacking topology on optical properties. The results demonstrate that the competition between different stacking manifolds provides a plausible explanation for the occurrence of stacking faults in this family of materials.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 7","pages":"Article 100924"},"PeriodicalIF":10.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integrated dual-excited-states enabling synergistic photocatalysis 集成双激发态，实现协同光催化

IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-02-20 DOI: 10.1016/j.cjsc.2026.100914

Kai-Yue Wang, Guang-Hui Chen, Yan Mi

引用次数: 0

Water-insensitive near-infrared luminescent nanoprobes enable low-power and ultrasensitive biodetection in opaque media 水不敏感的近红外发光纳米探针可以在不透明介质中进行低功耗和超灵敏的生物检测

IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-02-28 DOI: 10.1016/j.cjsc.2026.100916

Lirong He, Mingmao Chen, Yan Liu, Xueyuan Chen

引用次数: 0

Near-infrared-responsive Co3O4 photocatalysts for selective methane conversion 选择性甲烷转化的近红外响应Co3O4光催化剂