IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-05-05 DOI: 10.1016/j.cjsc.2026.100973

Wei Xu, Xiaosheng Dang, Qian Wang, Yidong Hou, Masakazu Anpo, Guigang Zhang

{"title":"Poly (triazine imide) single crystals with chlorine-terminated facets enable chlorine-tolerant photocatalytic seawater splitting","authors":"Wei Xu, Xiaosheng Dang, Qian Wang, Yidong Hou, Masakazu Anpo, Guigang Zhang","doi":"10.1016/j.cjsc.2026.100973","DOIUrl":"10.1016/j.cjsc.2026.100973","url":null,"abstract":"<div><div>Photocatalytic overall seawater splitting represents a sustainable route to hydrogen production but is fundamentally limited by chloride-induced catalyst corrosion and competing chlorine evolution reactions. Polymeric photocatalysts are attractive for this process; however, intrinsic chlorine tolerance remains elusive. Here we report that poly (triazine imide) single crystals with exposed {10<span><math><mrow><mover><mn>1</mn><mo>¯</mo></mover></mrow></math></span>0} facets enable efficient and stable photocatalytic overall seawater splitting. A surface-bound Cl<sup>−</sup> layer forms an electrostatic shield that suppresses chloride corrosion, while preferential Na<sup>+</sup> adsorption generates a strong interfacial electric field that enhances charge separation and extends carrier lifetimes. Consequently, continuous H<sub>2</sub> and O<sub>2</sub> evolution with a stoichiometric 2:1 ratio and without detectable chlorine by-products is achieved under irradiation in natural seawater. These results reveal an ion-framework cooperative mechanism and establish a feasible design principle for chlorine-tolerant polymeric photocatalysts.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 9","pages":"Article 100973"},"PeriodicalIF":10.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148949387","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

Unveiling the Jahn-Teller effect in the excited-state dynamics of Te4+ in 0D Cs2ScCl5·H2O for cryogenic temperature sensing 揭示低温传感中Te4+在0D Cs2ScCl5·H2O中的激发态动力学中的Jahn-Teller效应

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-05-09 DOI: 10.1016/j.cjsc.2026.100976

Wei Zhang, Junxiang Liu, Chenyin Zheng, Zhiqing Shao, Hao Zhang, Dengfeng Yang, Xia Mao, Ping Huang, Xueyuan Chen, Wei Zheng

{"title":"Unveiling the Jahn-Teller effect in the excited-state dynamics of Te4+ in 0D Cs2ScCl5·H2O for cryogenic temperature sensing","authors":"Wei Zhang, Junxiang Liu, Chenyin Zheng, Zhiqing Shao, Hao Zhang, Dengfeng Yang, Xia Mao, Ping Huang, Xueyuan Chen, Wei Zheng","doi":"10.1016/j.cjsc.2026.100976","DOIUrl":"10.1016/j.cjsc.2026.100976","url":null,"abstract":"<div><div>Fluorescence lifetime (FL)-based thermometry has been widely applied in diverse technological fields owing to its self-referencing capability, high sensitivity, and reliability. However, conventional FL thermometers generally rely on thermally activated nonradiative relaxation processes, limiting their use for cryogenic sensing below liquid nitrogen temperature (77 K). Herein, we report a new FL thermometric method based on Te<sup>4+</sup>-doped 0D Cs<sub>2</sub>ScCl<sub>5</sub>·H<sub>2</sub>O crystals, which operates independently of nonradiative relaxation and enables accurate and reliable cryogenic temperature detection down to liquid helium temperature (4 K), achieving a maximum relative sensitivity of 8.5% K<sup>−1</sup> at 10 K. Specifically, we demonstrate that the photoluminescence (PL) in Cs<sub>2</sub>ScCl<sub>5</sub>·H<sub>2</sub>O:Te<sup>4+</sup> originates from the <sup>3</sup>P<sub>0,1</sub> → <sup>1</sup>S<sub>0</sub> transitions of isolated Te<sup>4+</sup> centers. This is evidenced by the strong temperature dependence of the dual-band emissions at low temperatures (induced by a dynamic Jahn-Teller effect) and the PL lifetime dictated by the interplay between spin-forbidden and spin-orbital allowed transitions. These findings not only provide fundamental insights into the excited-state dynamics of Te<sup>4+</sup> in metal halides, but also establish a general approach for ultralow-temperature FL sensing utilizing main-group s-electron ions.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 9","pages":"Article 100976"},"PeriodicalIF":10.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148949390","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

Interfacial confinement-enabled precise synthesis of square-shaped 2D mesoporous nanosheets 界面约束下方形二维介孔纳米片的精确合成

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-05-09 DOI: 10.1016/j.cjsc.2026.100975

Jinchao Liu, Zaiwang Zhao, Shanshan Li

引用次数: 0

Anions-mediated interfacial-water regulation boosts C2+ selectivity for CO2 electroreduction over Cu-based catalysts 阴离子介导的界面水调节提高了cu基催化剂对CO2电还原的C2+选择性

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-04-25 DOI: 10.1016/j.cjsc.2026.100967

Tingting Gong, Zhen Liu, Wen Jin, Jiamei Li, Min Wang, Luhua Jiang

{"title":"Anions-mediated interfacial-water regulation boosts C2+ selectivity for CO2 electroreduction over Cu-based catalysts","authors":"Tingting Gong, Zhen Liu, Wen Jin, Jiamei Li, Min Wang, Luhua Jiang","doi":"10.1016/j.cjsc.2026.100967","DOIUrl":"10.1016/j.cjsc.2026.100967","url":null,"abstract":"<div><div>The electrochemical CO<sub>2</sub> reduction reaction (CO<sub>2</sub>RR) offers a promising strategy to produce high-value-added C<sub>2+</sub> products. Cu-based catalysts enable C–C coupling but suffer from low C<sub>2+</sub> selectivity. Although electronic/structural engineering and cation effects have been widely studied, the role of anions in tuning interfacial water structure and CO<sub>2</sub>RR pathways remains insufficiently understood. Herein, a series of low-concentration anions were introduced into 1 M KOH to regulate the interfacial water environment over reconstructed CuO. By combining <em>in</em>-<em>situ</em> attenuated total reflection surface-enhanced infrared absorption spectroscopy (ATR-SEIRAS) and electrochemical impedance spectroscopy (EIS), it is revealed that low-concentration anions in 1 M KOH increase the proportion of strong interfacial-water structure in the order of F<sup>−</sup> > Cl<sup>−</sup> > Br<sup>−</sup> > NO<sub>3</sub><sup>−</sup>. Moreover, the moderate strong interfacial-water structure can accelerate ∗H transfer and promote ∗CO hydrogenation to ∗COH, thus favoring asymmetric C–C coupling to produce C<sub>2+</sub> products. However, excessively stable interfacial water structure in F<sup>−</sup>-containing electrolyte induces enhanced ∗H coverage and dominant H<sub>2</sub> evolution. A volcano-type relationship is thus observed between C<sub>2+</sub> selectivity and the proportion of strongly hydrogen-bonded water. This work emphasizes anion-mediated interfacial water regulation as an effective strategy to enhance C<sub>2+</sub> selectivity for CO<sub>2</sub>RR.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 9","pages":"Article 100967"},"PeriodicalIF":10.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148949385","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

Excitonic quantum superlattices enable highly efficient photocatalytic overall water splitting 激子量子超晶格实现了高效的光催化整体水分解

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-04-25 DOI: 10.1016/j.cjsc.2026.100968

Zili Ma

引用次数: 0

High-crystalline g-C3N4/BiOIO3 S-scheme heterojunction for efficient photocatalytic CO2 reduction 高晶g-C3N4/BiOIO3 S-scheme异质结用于高效光催化CO2还原

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-04-28 DOI: 10.1016/j.cjsc.2026.100969

Zhiyuan Qin, Haosheng Li, Song Li, Heng Yang, Juntao Yan, Qiang Ma, Xiaofang Li

{"title":"High-crystalline g-C3N4/BiOIO3 S-scheme heterojunction for efficient photocatalytic CO2 reduction","authors":"Zhiyuan Qin, Haosheng Li, Song Li, Heng Yang, Juntao Yan, Qiang Ma, Xiaofang Li","doi":"10.1016/j.cjsc.2026.100969","DOIUrl":"10.1016/j.cjsc.2026.100969","url":null,"abstract":"<div><div>Photocatalytic conversion of CO<sub>2</sub> into chemical fuels represents a promising route toward achieving carbon neutrality. However, its practical large-scale deployment is severely hampered, primarily due to high charge-transfer resistance and sluggish kinetics. Herein, a high-crystalline g-C<sub>3</sub>N<sub>4</sub>/BiOIO<sub>3</sub> (CCN/BIO) S-scheme is constructed through a one-step KI molten salt method, which offers a greener and simpler alternative to conventional systems while enhancing the crystallinity of CCN and enabling the <em>in-situ</em> deposition of BIO. Benefiting from the high lattice matching between the two components, robust N–O–Bi interfacial chemical bonds are formed, serving as efficient channels for charge migration. As a result, the optimized CCN/BIO composite exhibits a markedly enhanced activity of photocatalytic reduction of CO<sub>2</sub>, with the total yield of CO and CH<sub>4</sub> reaching 4.9 and 3.2 times those of pristine BIO and CCN, respectively. Combined density functional theory (DFT) calculations, <em>in-situ</em> irradiated X-ray photoelectron spectroscopy (XPS), and electron paramagnetic resonance (EPR) analyses systematically verify the S-scheme charge transfer pathway, which is synergistically driven by the internal electric field and interfacial chemical bonds. This work provides new insights into the rational design of visible-light-responsive S-scheme heterojunction photocatalysts.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 9","pages":"Article 100969"},"PeriodicalIF":10.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148949391","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

Structure-function relationships in metal-ligand coordination sensors for metal-ion detection 金属离子探测用金属配位传感器的结构-功能关系

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-05-09 DOI: 10.1016/j.cjsc.2026.100972

Brij Mohan, Ismayil M. Garazade, Khayala Seyidova, Matlab Khamiyev, M. Fátima C. Guedes da Silva, Armando J.L. Pombeiro, Wei Sun

{"title":"Structure-function relationships in metal-ligand coordination sensors for metal-ion detection","authors":"Brij Mohan, Ismayil M. Garazade, Khayala Seyidova, Matlab Khamiyev, M. Fátima C. Guedes da Silva, Armando J.L. Pombeiro, Wei Sun","doi":"10.1016/j.cjsc.2026.100972","DOIUrl":"10.1016/j.cjsc.2026.100972","url":null,"abstract":"<div><div>Metal-ligand coordination complexes serve as versatile platforms for the targeted detection of metal ions. However, the relationship between molecular structure, binding interactions, and sensing performance remains dispersed across different sensing systems. This review provides a structure-function perspective on metal-ligand coordination sensors, highlighting how ligand architecture, donor atom types, coordination geometry, and secondary supramolecular interactions collectively influence metal-ion recognition and signal transduction. Particular attention is given to the interaction between primary coordination bonds and auxiliary forces such as hydrogen bonding, π-π stacking, and electrostatic interactions, which together govern binding affinity, selectivity, and sensing behavior. The review discusses key sensing architectures, including preorganized ligands, multidentate chelating probes, supramolecular cages, coordination polymers, and metal-organic frameworks, and demonstrates how structural design principles yield distinct optical and electrochemical responses, such as photoinduced electron transfer, chelation-enhanced fluorescence, and charge-transfer modulation. By connecting molecular design with sensing mechanisms and analytical results, this review establishes a unified framework for understanding metal-ligand coordination-based sensing systems. Finally, emerging strategies to enhance selectivity, stability, and suitability for real-world applications are discussed, offering guidance for designing the next generation of metal-ion sensors for environmental monitoring, biological analysis, and industrial use.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 9","pages":"Article 100972"},"PeriodicalIF":10.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148949389","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

Cation-sulfur-driven dimensional reduction engineering for tailoring sulfonate birefringent crystals with enhanced anisotropy 具有增强各向异性的硫酸盐双折射晶体的阳离子-硫驱动降维工程

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-05-02 DOI: 10.1016/j.cjsc.2026.100970

Hanjing Huang, Longyun Xu, Wenli Zhao, Huijian Zhao, Xianghao Kong, Ning Ye, Zhanggui Hu, Conggang Li

{"title":"Cation-sulfur-driven dimensional reduction engineering for tailoring sulfonate birefringent crystals with enhanced anisotropy","authors":"Hanjing Huang, Longyun Xu, Wenli Zhao, Huijian Zhao, Xianghao Kong, Ning Ye, Zhanggui Hu, Conggang Li","doi":"10.1016/j.cjsc.2026.100970","DOIUrl":"10.1016/j.cjsc.2026.100970","url":null,"abstract":"<div><div>Birefringent crystals are critical for advanced photonic technologies, yet achieving substantial optical anisotropy through rational structural design remains a challenge. Herein, we propose a multiscale structural engineering strategy that couples anisotropic functional building units (FBUs) with cation-sulfur mediated dimensional modulation to enhance optical anisotropy. Three new birefringent crystals, K<sub>4</sub>(2-ABS)<sub>4</sub>·H<sub>2</sub>O (I), Rb<sub>4</sub>(2-ABS)<sub>4</sub>·H<sub>2</sub>O (II), and Cs(2-ABS) (III), were identified by mediating the spatial matching between distinct cations and sulfurs to trigger structural evolution. Notably, the structural evolution from a quasi-2D layered arrangement (I and II) to a quasi-1D chain (III) leads to a significant enhancement in birefringence from 0.167 (I) and 0.155 (II) to 0.344 (III) at 532 nm, nearly two orders of magnitude larger than that of K<sub>2</sub>SO<sub>4</sub> and exceeding widely used commercial birefringent crystals. Structural analysis and first-principles calculations reveal a distinct dimensional transition from quasi-2D frameworks (I and II) to a quasi-1D structure (III), where dimensional reduction synergistically cooperates with the intrinsic polarizability anisotropy of [2-ABS]<sup>−</sup> to markedly enhance birefringence. This work demonstrates the effectiveness and general applicability of multiscale structural modulation as a design principle for birefringent crystal architectures.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 9","pages":"Article 100970"},"PeriodicalIF":10.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148949386","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

Single-site cooperativity in MOFs enables high-capacity CO capture mof的单位点协同性实现了高容量的CO捕获

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-05-07 DOI: 10.1016/j.cjsc.2026.100974

Jun Hu, Shyam Chand Pal, Yingxiang Ye

引用次数: 0

Modification of structure and electrical properties of antiperovskite Ni3FeN under high pressure 高压下反钙钛矿Ni3FeN结构及电性能的改性

IF 10.5 4区化学

结构化学 Pub Date : 2026-09-01 Epub Date: 2026-04-25 DOI: 10.1016/j.cjsc.2026.100966

Tao Han, Yijie Zeng, Pengfei Tan, Meihuan Zhao, Yuxuan Liu, Man-Rong Li

{"title":"Modification of structure and electrical properties of antiperovskite Ni3FeN under high pressure","authors":"Tao Han, Yijie Zeng, Pengfei Tan, Meihuan Zhao, Yuxuan Liu, Man-Rong Li","doi":"10.1016/j.cjsc.2026.100966","DOIUrl":"10.1016/j.cjsc.2026.100966","url":null,"abstract":"<div><div>We investigated Ni<sub>3</sub>FeN under high pressure through <em>in situ</em> synchrotron X-ray diffraction and resistance measurements. An irreversible structural phase transition from <em>Pm</em>-3<em>m</em> to <em>Cmcm</em> is observed at approximately 16.0 GPa. The transition is driven by the displacement of Fe along the <em>b</em>-axis and the pronounced tilting and distortion of NNi<sub>6</sub> octahedra along the <em>c</em>-axis, which breaks the original cubic symmetry. This structural change leads to a significant softening of the mechanical properties, as evidenced by a more than 40% reduction in the bulk modulus (from 249.8(2) to 150.4(5) GPa) and an increase in the average Ni–N bond length. Bond angle variance and quadratic elongation are determined to validate distortions in NNi<sub>6</sub> octahedra. Concurrently, analysis of the resistance-temperature (<em>R</em>–<em>T</em>) dependence reveals a crossover in scattering mechanisms, where the distorted octahedral network severely impedes electron conduction, resulting in an anomalous rise in resistance near the transition pressure, particularly at low temperatures. These findings extend the modification of structure and physical properties of Ni<sub>3</sub>FeN to high-pressure region, and lay a foundation for future material design and applications in antiperovskites.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 9","pages":"Article 100966"},"PeriodicalIF":10.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148949384","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

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