IF 10.3 4区化学

结构化学 Pub Date : 2026-03-01 Epub Date: 2026-01-12 DOI: 10.1016/j.cjsc.2025.100843

Fenglei Qiu , Xinting Zhang , Fengquan Liu , Linfeng Liang , Wenjing Wang , Kongzhao Su , Daqiang Yuan

{"title":"Ultrastable sp2 carbon-conjugated porous organic cage for selective perchlorate capture and fast lithium-ion transport","authors":"Fenglei Qiu , Xinting Zhang , Fengquan Liu , Linfeng Liang , Wenjing Wang , Kongzhao Su , Daqiang Yuan","doi":"10.1016/j.cjsc.2025.100843","DOIUrl":"10.1016/j.cjsc.2025.100843","url":null,"abstract":"<div><div>Organic cage compounds, which are among the most important classes of supramolecular hosts, have been found to be capable of capturing various guests through host-guest interactions due to their inherent cavities. To date, the exploration of potential applications based on such host-guest chemistry has been a subject of intensive research. Herein, we report a highly stable sp<sup>2</sup> carbon-conjugated porous organic cage (POC), abbreviated as <strong>sp<sup>2</sup>c-POC3</strong>, formed via the Knoevenagel reaction between tetraformyl-functionalized calix[4]resorcinarene and V-shaped diacetonitrile subunits. X-ray crystallographic analysis reveals that <strong>sp<sup>2</sup>c-POC3</strong> is a [2 + 4] long lantern-shaped cage. It contains four rhombic windows with an average edge length of approximately 2.1 nm and a large cavity with a volume of approximately 782 Å<sup>3</sup>. Notably, this cage can selectively capture perchlorate (ClO<sub>4</sub><sup>−</sup>) anions. Taking advantage of such anion trapping ability and the porous nature, a quasi-solid-state electrolyte (QSSE) based on <strong>sp<sup>2</sup>c-POC3</strong> and incorporating LiClO<sub>4</sub> has been rationally designed. This <strong>sp<sup>2</sup>c-POC3-based QSSE</strong> exhibits a high ionic conductivity of 2.5 × 10<sup>−3</sup> S cm<sup>−1</sup> at room temperature.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 3","pages":"Article 100843"},"PeriodicalIF":10.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147417663","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

Engineering π-delocalized network in fused-thiophene based polymers/g-C3N4 S-scheme heterojunctions for photocatalytic H2 evolution 融合噻吩基聚合物/g- c3n4s方案异质结的工程π-离域网络光催化析氢

IF 10.3 4区化学

结构化学 Pub Date : 2026-03-01 Epub Date: 2025-12-06 DOI: 10.1016/j.cjsc.2025.100833

Weixia Wang , Yongji Zhang , Fei Zhao , Libo Wang , Fanpeng Meng , Shuchao Qin , Jinsheng Zhao

{"title":"Engineering π-delocalized network in fused-thiophene based polymers/g-C3N4 S-scheme heterojunctions for photocatalytic H2 evolution","authors":"Weixia Wang , Yongji Zhang , Fei Zhao , Libo Wang , Fanpeng Meng , Shuchao Qin , Jinsheng Zhao","doi":"10.1016/j.cjsc.2025.100833","DOIUrl":"10.1016/j.cjsc.2025.100833","url":null,"abstract":"<div><div>Carrier recombination in polymer photocatalysts involves both undissociated exciton decay and charge recombination, which are the main obstacles limiting their photocatalytic activity. Achieving efficient charge generation and separation in a polymer system is a fundamental strategy for the potential success of solar energy conversion to hydrogen, but it remains a huge challenge. In this study, we propose an innovative intermolecular π-π stacking strategy to construct a π-delocalized all-polymer S-scheme heterojunction for photocatalytic hydrogen evolution (PHE). Two conjugated porous polymers (CPPs)—PyB composed of benzo[1,2-b:4,5-b′]dithiophene (BDT) and pyrene units, and PhB composed of BDT and benzene—were synthesized and integrated with CN nanosheets. The highly planar and π-extended structure of PyB facilitated strong interfacial π-π stacking with CN, forming an extended π-delocalized network that enhanced the internal electric field (IEF), improved charge separation, and boosted visible-light absorption. As a result, the optimized PyB/CN-20 composite achieved a remarkable hydrogen evolution rate (HER) of 23.84 mmol h<sup>−1</sup> g<sup>−1</sup> under visible light, approximately 287 times higher than that of pristine CN. This work underscores the critical role of polymer planarity and π-conjugation in heterojunction efficiency, and provides new insights into the rational design of π-delocalized S-scheme systems and establishes a general strategy for developing highly efficient, metal-free photocatalysts by leveraging molecular-level structural control.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 3","pages":"Article 100833"},"PeriodicalIF":10.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147418132","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

Metal-organic frameworks in perovskite solar cells: Harnessing structural diversity for enhanced photovoltaic performance 钙钛矿太阳能电池中的金属有机框架：利用结构多样性增强光伏性能

IF 10.3 4区化学

结构化学 Pub Date : 2026-03-01 Epub Date: 2025-12-12 DOI: 10.1016/j.cjsc.2025.100842

Yuhao Xiong , Jian Zhang , Yue Sun , Boyuan Hu , Wei Wang , Yuanyuan Yin , Debin Xia , Kaifeng Lin , Yulin Yang , Evgeny Tretyakov

{"title":"Metal-organic frameworks in perovskite solar cells: Harnessing structural diversity for enhanced photovoltaic performance","authors":"Yuhao Xiong , Jian Zhang , Yue Sun , Boyuan Hu , Wei Wang , Yuanyuan Yin , Debin Xia , Kaifeng Lin , Yulin Yang , Evgeny Tretyakov","doi":"10.1016/j.cjsc.2025.100842","DOIUrl":"10.1016/j.cjsc.2025.100842","url":null,"abstract":"<div><div>In recent years, metal-organic frameworks (MOFs) have emerged as promising materials in modifying perovskite solar cells (PSCs) due to their unique porous structures, exceptional specific surface area, tunable organic-inorganic coordination environments, and abundant modification sites. These features endowed MOFs with the ability to regulate the crystallization rate of perovskite films, promote uniform crystal growth, and passivate both surface and grain boundary defects. This review systematically categorizes the applications of MOFs in PSCs based on MOF types and their corresponding functional mechanisms, while exploring the selection criteria for MOFs with different structures from five key dimensions: pores, framework structures, functional groups, MOF composites, and MOF derivatives. Focusing on the structural design of MOFs, this review further aims to forecast the development trends of MOFs at the MOF/PSCs interface and provide guidance for the rational design and selection of MOFs for propelling next-generation photovoltaic technologies.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 3","pages":"Article 100842"},"PeriodicalIF":10.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147417656","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

Dinitrogen fixation on transition metal complexes with flexible axial bonding 具有柔性轴向键的过渡金属配合物的二氮固定

IF 10.3 4区化学

结构化学 Pub Date : 2026-03-01 Epub Date: 2025-11-22 DOI: 10.1016/j.cjsc.2025.100831

Xue-Lu Ma , Jun-Bo Lu , Yuan Zhang , Ya-Fei Jiang , Jun Li

{"title":"Dinitrogen fixation on transition metal complexes with flexible axial bonding","authors":"Xue-Lu Ma , Jun-Bo Lu , Yuan Zhang , Ya-Fei Jiang , Jun Li","doi":"10.1016/j.cjsc.2025.100831","DOIUrl":"10.1016/j.cjsc.2025.100831","url":null,"abstract":"<div><div>The conversion of molecular dinitrogen (N<sub>2</sub>) into ammonia (NH<sub>3</sub>) is one of the most important chemical processes. The hemilabile axial bonding in the transition metal (TM) complexes with <em>d-p</em>, <em>d-d</em> and <em>d-df</em> interactions could provide an electron reservoir that controls the evolution of the oxidation state on the active center, which is potential to facilitate N<sub>2</sub>-to-NH<sub>3</sub> conversion. In this perspective, the bionic nitrogen fixing process is illustrated on a molecular level, which features flexible axial bonding to regulate “electron reservoir”. The comprehensive overview summarizes the features of TM complexes with axial supporting ligand and focuses on how the axial ‘‘assistant” atom tunes the electronic properties of the metal center to facilitate dinitrogen binding, as well as proton/electron delivery in N<sub>2</sub> reduction. To illustrate the mechanism of axial ‘‘electron reservoir” in dinitrogen fixation on different TM complexes with axial supporting ligand, the relationships of geometric parameters, the variation of electronic structure and oxidation state, the influence principles of axial bonding regulated by anchor atoms, the critical roles of peripheral ligands and the overall comprehension from orbital interaction are all involved. A preliminary view of the major challenges and future opportunities of TM dinitrogen complexes with flexible axial bonding is highlighted at the end. Through this perspective, we hope to give a comprehensive demonstration of the flexible axial bonding as “electron reservoir” in dinitrogen fixation, and shed light on the rational design for fabricating efficient catalysts in the future.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 3","pages":"Article 100831"},"PeriodicalIF":10.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147417660","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

A low-temperature strategy enables atomic-level control in noble metal-based high-entropy catalysts 低温策略使贵金属高熵催化剂的原子级控制成为可能

IF 10.3 4区化学

结构化学 Pub Date : 2026-03-01 Epub Date: 2025-11-05 DOI: 10.1016/j.cjsc.2025.100800

Zhilin Meng, Haiying Lu, Weijie Li

引用次数: 0

Engineering S-coordinated Ru single-atoms in a porphyrinic metal-organic framework for CO2 photoreduction 用于CO2光还原的卟啉金属-有机框架中的s配位Ru单原子工程

IF 10.3 4区化学

结构化学 Pub Date : 2026-03-01 Epub Date: 2025-12-10 DOI: 10.1016/j.cjsc.2025.100841

Sihong Li , Weiping Deng , Qijie Mo, Haili Song, Chunying Chen, Li Zhang

{"title":"Engineering S-coordinated Ru single-atoms in a porphyrinic metal-organic framework for CO2 photoreduction","authors":"Sihong Li , Weiping Deng , Qijie Mo, Haili Song, Chunying Chen, Li Zhang","doi":"10.1016/j.cjsc.2025.100841","DOIUrl":"10.1016/j.cjsc.2025.100841","url":null,"abstract":"<div><div>The catalytic performance of single-atom (SA) catalysts in CO<sub>2</sub> photoreduction can be optimized through precise modulation of the coordination structures of SAs. In this study, Ru–SAs immobilized on the Zr<sub>6</sub>O<sub>8</sub> clusters of a porphyrinic metal-organic framework (Zn–PCN-222) are modified with sulfhydryl groups (–SH). The resulting RuS–SAs@Zn–PCN-222 exhibits high photocatalytic activity for CO<sub>2</sub> reduction to HCOO<sup>−</sup> using ammonia borane as the H∗ donor, giving rise to a HCOO<sup>−</sup> production rate of 54.4 mmol⋅g<sup>−1</sup>⋅h<sup>−1</sup> with 99.9% selectivity, which is approximately 20.1 and 4.5 times higher than that of Zn–PCN-222 and –SH-free Ru–SAs@Zn–PCN-222, respectively. Photoelectrochemical measurements demonstrate that the incorporated RuS–SAs enhance the separation and migration of photogenerated charges in RuS–SAs@Zn–PCN-222. Further <em>in situ</em> experiments reveal that the RuS–SAs could accept electrons from Zn–PCN-222 as well as the –SH groups, and then inject to inert CO<sub>2</sub> molecules, thereby facilitating CO<sub>2</sub> activation and its subsequent coupling with H∗ to form HCOO<sup>−</sup>.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 3","pages":"Article 100841"},"PeriodicalIF":10.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147417661","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

Molecular enhancement of platinum electrocatalysts for hydrogen evolution 铂析氢电催化剂的分子强化研究

IF 10.3 4区化学

结构化学 Pub Date : 2026-03-01 Epub Date: 2025-11-14 DOI: 10.1016/j.cjsc.2025.100814

Li-Ming Cao, Chun-Ting He

引用次数: 0

REXCO3 (RE = La, Ce, Y; X = OH, F) with circular alignment of anionic motifs induced extraordinary nonlinear optical effects REXCO3 （RE = La, Ce， Y; X = OH， F）阴离子基圆排列引起了非凡的非线性光学效应

IF 10.3 4区化学

结构化学 Pub Date : 2026-03-01 Epub Date: 2025-12-10 DOI: 10.1016/j.cjsc.2025.100844

Fan Liu , Pifu Gong , Zheshuai Lin , Lei Kang

{"title":"REXCO3 (RE = La, Ce, Y; X = OH, F) with circular alignment of anionic motifs induced extraordinary nonlinear optical effects","authors":"Fan Liu , Pifu Gong , Zheshuai Lin , Lei Kang","doi":"10.1016/j.cjsc.2025.100844","DOIUrl":"10.1016/j.cjsc.2025.100844","url":null,"abstract":"<div><div>Nonlinear optical (NLO) crystals with efficient frequency conversion are essential for all-solid-state lasers, and exploring new second harmonic generation (SHG) enhancing strategy is crucial for the structure-property relationship research and application of NLO crystals. Conventional strategies focus on inducing parallel alignment of NLO active units. In this work, two new regulation means, <em>i.e.</em> bond polarization and flexible deformation, have been identified in rare earth carbonates REXCO<sub>3</sub> (RE = La, Ce, Y; X = OH, F) with anionic motifs circular aligned through experimental characterization and first-principles calculations. They can promote the SHG effect in the form of electronic polarization and polyhedra distortion, respectively. Such regulation methods break the common acceptation that only carbonates aligning in a parallel pattern can effectively achieve the superposition of hyperpolarizabilities and result in considerable SHG effect. By realizing the synergistic effect of circular alignment and rare earth polyhedra, the polarizability and flexible stretching ability of the RE-O coordination bonds are effectively exerted in the designed structure, <em>C</em>2_La<sub>2</sub>O<sub>2</sub>CO<sub>3</sub>. This work unveils a new mechanism for SHG enhancement in rare earth carbonates and provides new insight for designing advanced NLO materials.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 3","pages":"Article 100844"},"PeriodicalIF":10.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147417662","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

Interface engineering of Co9S8/Ni3S2 heterojunction with robust stability for boosting peroxymonosulfate activation Co9S8/Ni3S2异质结促进过氧单硫酸盐活化的界面工程

IF 10.3 4区化学

结构化学 Pub Date : 2026-02-01 Epub Date: 2025-10-15 DOI: 10.1016/j.cjsc.2025.100771

Xiaohan Wang , Xue Guo , Zhuo Song , Chen Guan , Chengyu Yang , Tianyang Li , Yukun Zhu , Yan Xu

{"title":"Interface engineering of Co9S8/Ni3S2 heterojunction with robust stability for boosting peroxymonosulfate activation","authors":"Xiaohan Wang , Xue Guo , Zhuo Song , Chen Guan , Chengyu Yang , Tianyang Li , Yukun Zhu , Yan Xu","doi":"10.1016/j.cjsc.2025.100771","DOIUrl":"10.1016/j.cjsc.2025.100771","url":null,"abstract":"<div><div>Cobalt-based catalysts for peroxymonosulfate (PMS) activation are often hindered by metal leaching and structural instability, limiting their practical application. To address these challenges, we developed a novel Co<sub>9</sub>S<sub>8</sub>/Ni<sub>3</sub>S<sub>2</sub> heterojunction catalyst via a hydrothermal method followed by thermal reduction, employing interface engineering to inhibit metal cation leaching. The resulting Co<sub>9</sub>S<sub>8</sub>/Ni<sub>3</sub>S<sub>2</sub>/PMS system achieved complete tylosin degradation within 120 s. Notably, cobalt leaching was reduced by 4.5 times compared to pure Co<sub>9</sub>S<sub>8</sub>, demonstrating significantly enhanced catalyst stability. Furthermore, this system exhibited high efficiency in degrading a variety of antibiotics, good cyclic stability, and strong tolerance to diverse aqueous environments. The enhanced performance is attributed to the interface-engineered heterojunction, which not only improves the structural stability by suppressing metal cation leaching, but also facilitates PMS adsorption onto the catalyst surface. This improved PMS adsorption, particularly on cobalt active sites, results in substantial electron enrichment, thereby promoting efficient tylosin degradation. This work highlights the importance of interface engineering in designing advanced heterojunction catalysts for stable and efficient antibiotic wastewater treatment.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 2","pages":"Article 100771"},"PeriodicalIF":10.3,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147640","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

MOF-derived carbon-encapsulated ZnS/MnO porous microspheres for high-performance lithium storage 用于高性能锂存储的mof衍生碳包封ZnS/MnO多孔微球

IF 10.3 4区化学

结构化学 Pub Date : 2026-02-01 Epub Date: 2025-11-01 DOI: 10.1016/j.cjsc.2025.100795

Jiamin Xiong , Baiying Huang , Yuling Zhang , Kaixin Zhou , Yuxuan Liu , Shengen Gong , Zhiguang Xu , Yongbo Wu , Akif Zeb , Xiaoming Lin

{"title":"MOF-derived carbon-encapsulated ZnS/MnO porous microspheres for high-performance lithium storage","authors":"Jiamin Xiong , Baiying Huang , Yuling Zhang , Kaixin Zhou , Yuxuan Liu , Shengen Gong , Zhiguang Xu , Yongbo Wu , Akif Zeb , Xiaoming Lin","doi":"10.1016/j.cjsc.2025.100795","DOIUrl":"10.1016/j.cjsc.2025.100795","url":null,"abstract":"<div><div>The advantages of transition metal compounds such as ultrahigh theoretical capacity and abundant active sites make them promising anode materials for high energy density lithium-ion batteries. Unfortunately, problems such as severe volume expansion and poor electrical conductivity seriously hinder their large-scale application. In general, reasonable optimization of composition and structure is an effective strategy for developing anode materials with excellent lithium storage properties. In this paper, ZnS/MnO composites are constructed by solvothermal sulfidation and calcination using Zn–Mn organic frameworks as self-sacrificing templates. From the perspective of material composition, both ZnS and MnO have excellent theoretical specific capacity, and the two-component metal center can provide more abundant active sites. From the perspective of structural optimization, the ZnS/MnO composites inherit the loose porous structure of the calcined metal-organic frameworks, which can not only effectively alleviate the volume expansion during the charge and discharge process, but also help improve the conductivity of composites and promote charge transport. Both experimental results and density functional theory calculations show that the two-component metal center of ZnS/MnO composites can improve the electronic conductivity and reduce the migration energy barrier, thus showing excellent cycle stability and remarkable rate performance. The study provides another idea for the development of high-performance anode materials for lithium-ion batteries.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 2","pages":"Article 100795"},"PeriodicalIF":10.3,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147105","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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