IF 10.5 4区化学

结构化学 Pub Date : 2026-07-01 Epub Date: 2026-02-23 DOI: 10.1016/j.cjsc.2026.100915

Wei-Chao Yang, Yi-Ying Li, Cai Sun

引用次数: 0

Direct synthesis of highly porous Cr-MOFs with hexatopic carboxylate ligands for water adsorption 六位羧酸配体直接合成高孔cr - mof的水吸附性能

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-05 DOI: 10.1016/j.cjsc.2026.100890

Chaozhuang Xue , Yingying Zhang , Konggang Qu , Shuwen Gong , Huajun Yang

{"title":"Direct synthesis of highly porous Cr-MOFs with hexatopic carboxylate ligands for water adsorption","authors":"Chaozhuang Xue , Yingying Zhang , Konggang Qu , Shuwen Gong , Huajun Yang","doi":"10.1016/j.cjsc.2026.100890","DOIUrl":"10.1016/j.cjsc.2026.100890","url":null,"abstract":"<div><div>The construction of highly porous metal-organic frameworks (MOFs) is desirable, yet it faces significant challenges including synthetic difficulties and compromised structural stability. Herein we report three new Cr-MOFs, Cr-L1-P1, Cr-L2-P1 and Cr-L3-P2, obtained by facile one-pot synthesis. These materials exhibit partitioned acs (pacs) architecture that combines exceptional porosity with remarkable structural stability, which is achieved by the incorporation of large hexatopic carboxylate ligands and the formation of coordinatively-saturated-chromium(III)-based trimeric secondary building units (SBUs). Experimental results suggest their high thermal stability alongside exceptional chemical stability (> 400 °C, acid resistance to 12 M HCl, base resistance to 0.1 M NaOH), placing them among the most stable MOFs. Water vapor adsorption isotherms reveal exceptional saturation uptakes of 0.77, 0.78, and 1.08 g<sub>H2O</sub>/g<sub>sorbent</sub> for Cr-L1-P1, Cr-L2-P1, and Cr-L3-P2, respectively. Notably, no obvious performance degradation was observed after 15 cycling measurements. Cr-L2-P1 exhibits suitable adsorption and desorption inflection points within recommended humidity range (45–65%), high working capacities/efficiencies (WC<sub>ads</sub> = 70 wt%, WC<sub>des</sub> = 65 wt%, <em>η</em><sub>ads</sub> = 90%, <em>η</em><sub>des</sub> = 83%) and effective working capacities/efficiencies (WC<sub>eff</sub> = 64 wt%, <em>η</em><sub>eff</sub> = 82%), making it a promising candidate for indoor humidity control.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 6","pages":"Article 100890"},"PeriodicalIF":10.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247544","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-thermal transport relationships in polymers-based composites: Models, metrology, and microstructure control 聚合物基复合材料的结构-热传递关系：模型、计量学和微观结构控制

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-18 DOI: 10.1016/j.cjsc.2026.100909

Munshi Jasimuddin , Zhijie Wang , Jiajing Huang , Jiawang Wen , Yue Lin

{"title":"Structure-thermal transport relationships in polymers-based composites: Models, metrology, and microstructure control","authors":"Munshi Jasimuddin , Zhijie Wang , Jiajing Huang , Jiawang Wen , Yue Lin","doi":"10.1016/j.cjsc.2026.100909","DOIUrl":"10.1016/j.cjsc.2026.100909","url":null,"abstract":"<div><div>Polymers are indispensable in modern technologies because of their lightweight nature, processability, and mechanical compliance, yet their inherently low thermal conductivity limits thermal management in applications ranging from flexible electronics and energy devices to thermal interfaces. Recent progress shows that polymer thermal transport is highly designable when viewed through a hierarchical structure-property framework that spans molecular order, mesoscale morphology, and composite architectures. This review summarizes advances in thermally conductive polymers and polymer-based composites by connecting multiscale modeling, reliable metrology, and microstructure engineering. We first discuss theoretical and computational approaches that capture phonon-dominated transport in disordered chains and quantify interfacial thermal resistance at polymer-filler interphases. We then compare key measurement techniques and highlight how test configuration, pressure, anisotropy, and sample preparation affect the extracted thermal conductivity and thermal resistance metrics. We further analyze material strategies at three levels: (i) molecular design and chain alignment to increase intrinsic polymer thermal transport, (ii) filler selection and interphase engineering to reduce vibrational mismatch and interfacial resistance, and (iii) architected networks, orientation, and hierarchical pathways to enable efficient, scalable heat conduction. Finally, we outline emerging opportunities and remaining challenges in establishing transferable design rules, standardized metrology, and manufacturable routes toward high-performance, reliable thermal management polymers and composites.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 6","pages":"Article 100909"},"PeriodicalIF":10.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247539","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

g-C3N4-based S-scheme heterojunction photocatalyst and its application g- c3n4基s型异质结光催化剂及其应用

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-05 DOI: 10.1016/j.cjsc.2026.100889

Zhiwei Meng, Shasha Chen, Pingyu Yang, Yupeng Yan, Guanjie Jiang, Qin Zhang, Yang Li

{"title":"g-C3N4-based S-scheme heterojunction photocatalyst and its application","authors":"Zhiwei Meng, Shasha Chen, Pingyu Yang, Yupeng Yan, Guanjie Jiang, Qin Zhang, Yang Li","doi":"10.1016/j.cjsc.2026.100889","DOIUrl":"10.1016/j.cjsc.2026.100889","url":null,"abstract":"<div><div>Photocatalytic materials hold great promise in alleviating energy shortages and remediating environmental pollution. The S-scheme photocatalyst has garnered significant attention for its ability to enhance photocatalytic performance through a unique charge-transfer mechanism. g-C<sub>3</sub>N<sub>4</sub> finds extensive application in environmental remediation and energy conversion due to its high stability, straightforward preparation methods, and unique band structure. Numerous materials based on g-C<sub>3</sub>N<sub>4</sub> have been fabricated and applied in S-scheme photocatalytic systems. It is therefore necessary to conduct a comprehensive review of the latest research advances in g-C<sub>3</sub>N<sub>4</sub>-based S-scheme heterojunction photocatalysts. This comprehensive review systematically elucidates the development of S-scheme photocatalytic mechanisms, design concept, synthesis method and characterization methods of S-scheme heterojunctions. It also outlines the application progress of g-C<sub>3</sub>N<sub>4</sub> S-scheme heterojunction photocatalysts in photocatalytic hydrogen evolution, degradation of pollutants, enhanced photocatalytic reduction of carbon dioxide, hydrogen peroxide generation, and the catalytic conversion of organic compounds. Additionally, it systematically elaborates on the core challenges currently faced by these photocatalysts and proposes prospective future research directions. This review provides a theoretical foundation for the advancement of g-C<sub>3</sub>N<sub>4</sub> S-scheme heterojunctions.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 6","pages":"Article 100889"},"PeriodicalIF":10.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247536","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

Modification of open metal sites in metal-organic frameworks for the enhancement of CO2 capture and alkane separation 金属-有机骨架中开放金属位的修饰以增强CO2捕获和烷烃分离

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-06 DOI: 10.1016/j.cjsc.2026.100892

Xufei Li , Junfa Fu , Weiqiu Huang , Zhaoqiang Zhang , Xiaofang Lv , Jiahao Kang , Jixing Xu , Jiahua Cheng , Yuhao Lu , Yitong Sun

{"title":"Modification of open metal sites in metal-organic frameworks for the enhancement of CO2 capture and alkane separation","authors":"Xufei Li , Junfa Fu , Weiqiu Huang , Zhaoqiang Zhang , Xiaofang Lv , Jiahao Kang , Jixing Xu , Jiahua Cheng , Yuhao Lu , Yitong Sun","doi":"10.1016/j.cjsc.2026.100892","DOIUrl":"10.1016/j.cjsc.2026.100892","url":null,"abstract":"<div><div>Metal-organic frameworks (MOFs) containing open metal sites (OMSs) exhibit abundant Lewis acid sites (LASs), whereas these sites readily coordinate with water molecules under humidity, which can lead to pore collapse and a reduction in available adsorption sites, ultimately compromising their separation performances. Meanwhile, the OMSs lack effective specific recognition ability at partial pressure, such as CO<sub>2</sub> (400 ppm) or alkane (C<sub>2</sub>H<sub>6</sub>, 50 kPa). To overcome these dilemmas, this review systematically focuses on their modified strategies and gas separation applications. Firstly, modified strategies have been divided into three types, including single internal and external, and integrated internal/external surface modification (ISM, ESM and I/ESM), that is, functional modifiers are grafted into the interior or covered on the surface of MOFs depending on OMSs. As a result, the functionalized composites demonstrated customized pore size/shape and chemistry due to their synergic effects, exhibiting outstanding separation ability for challenging gases, particularly in the capture and separation of CO<sub>2</sub> (e.g., diamine-appended MOF-74 variants displayed S-shaped CO<sub>2</sub> isotherms), as well as in the separation of alkanes (e.g., peroxo-MOF-74 achieved reversed separation of C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub>). Furthermore, their structure-property relationship between guest molecules and the composites is elucidated, and the future prospects for designing stable and excellent OMS-MOFs are highlighted and outlined.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 6","pages":"Article 100892"},"PeriodicalIF":10.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247538","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

Regulating single-molecule magnet behavior in Mn-oxo clusters via solvent-induced equilibrium shifts 通过溶剂诱导的平衡位移调节Mn-oxo簇中的单分子磁铁行为

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-10 DOI: 10.1016/j.cjsc.2026.100905

Yong-Kai Deng , Hai-Quan Tian , Zvonko Jagličić , Rakesh Kumar Gupta , Vitaly E. Matulis , Bao-Liang Han , Wei-Dan Si , Sagar Ghosh , Di Sun

引用次数: 0

Ligand functionalization boosts circularly polarized luminescence in chiral MOFs 配体功能化促进手性mof的圆极化发光

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-18 DOI: 10.1016/j.cjsc.2026.100912

Zhi-Wen Wang , Xiuzhen Wang , Yi-An Chen , Hong-Rui Zheng , Yu-Peng Han , Fei Wang , Shumei Chen , Shangda Li , Jian Zhang

{"title":"Ligand functionalization boosts circularly polarized luminescence in chiral MOFs","authors":"Zhi-Wen Wang , Xiuzhen Wang , Yi-An Chen , Hong-Rui Zheng , Yu-Peng Han , Fei Wang , Shumei Chen , Shangda Li , Jian Zhang","doi":"10.1016/j.cjsc.2026.100912","DOIUrl":"10.1016/j.cjsc.2026.100912","url":null,"abstract":"<div><div>Chiral metal-organic frameworks (CMOFs) exhibit significant potential for circularly polarized luminescence (CPL) due to their effective cooperation of chirality and luminescence. Herein, we utilize circularly polarized fluorescence energy transfer (CPF-ET) as a guiding principle to engineer CPL-active CMOFs through ligand functionalization. Three pairs of enantiomeric CMOFs were synthesized from optically pure chiral benzimidazole-derived ligands and substituted phenyl dicarboxylic acids. The resulting Cd-based CMOFs feature <em>qzd</em> topology and exhibit tunable CPL behaviors dependent on the substituents. Notably, while <strong>S/R-1</strong> shows a negligible CPL response, its isomorphic analogue <strong>S/R-1-NH<sub>2</sub></strong> achieves a significantly enhanced |<em>g</em><sub>lum</sub>| of 5.3 × 10<sup>−</sup><sup>3</sup>. The substantial impact of ligand functionalization on CPL performance, demonstrated across the series, highlights its critical role and provides a rational design strategy for advanced chiral photonic materials based on the CPF-ET mechanism.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 6","pages":"Article 100912"},"PeriodicalIF":10.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247537","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

Plasma-driven material synthesis and structural chemical engineering of silicon-based anodes for lithium-ion batteries 等离子体驱动材料合成及锂离子电池硅基阳极结构化学工程

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-12 DOI: 10.1016/j.cjsc.2026.100907

Yuanjiang Dong , Shiqi Bi , Mengru Wang , Zongxian Yang , Xinnian Tian , Yurun Chen , Ziqi Sun , Renren Sun , Yuge Ouyang , Liuyang Bai , Jishi Wei , Fangli Yuan , Ming-Shui Yao

{"title":"Plasma-driven material synthesis and structural chemical engineering of silicon-based anodes for lithium-ion batteries","authors":"Yuanjiang Dong , Shiqi Bi , Mengru Wang , Zongxian Yang , Xinnian Tian , Yurun Chen , Ziqi Sun , Renren Sun , Yuge Ouyang , Liuyang Bai , Jishi Wei , Fangli Yuan , Ming-Shui Yao","doi":"10.1016/j.cjsc.2026.100907","DOIUrl":"10.1016/j.cjsc.2026.100907","url":null,"abstract":"<div><div>Silicon-based materials have emerged as a highly promising alternative to conventional graphite anodes, owing to their high theoretical capacity and low cost. However, their practical application is significantly hindered by inherent challenges such as structural instabilities, poor reaction kinetics, and interfacial issues. Plasma technology, as a versatile processing tool, offers a unique and powerful platform for addressing these limitations. This review systematically summarizes existing research on the plasma-assisted preparation and modification of silicon-based anodes, with a particular focus on the pivotal role of plasma technology in material synthesis (nanostructure design and composites preparation) and structural chemistry engineering (crystal structure tailoring and surface/interface modification), as well as its influence on the electrochemical performance of the materials. These strategies have effectively addressed the critical issues associated with silicon-based anodes and led to remarkable improvements in their electrochemical performance. A systematic summary and in-depth understanding of this field are expected to pave the way for further optimization of silicon-based anode design and advance the application of high-energy-density lithium-ion batteries (LIBs).</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 6","pages":"Article 100907"},"PeriodicalIF":10.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247540","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

Enhanced tripling-performance in [C(NH2)3]4P2O7·H2O as UV nonlinear optical material due to π-conjugated cation and hydrogen bonding intervention [C(NH2)3]4P2O7·H2O作为紫外非线性光学材料，π共轭阳离子和氢键干预增强了其三倍性能

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-03-07 DOI: 10.1016/j.cjsc.2026.100904

Lei Wu , Enshen Wang , Bao Jiang , Xueyin Fu , Kechen Sun , Maierhaba Abudoureheman , Zhaohui Chen , Qun Jing , Yuhong Su

{"title":"Enhanced tripling-performance in [C(NH2)3]4P2O7·H2O as UV nonlinear optical material due to π-conjugated cation and hydrogen bonding intervention","authors":"Lei Wu , Enshen Wang , Bao Jiang , Xueyin Fu , Kechen Sun , Maierhaba Abudoureheman , Zhaohui Chen , Qun Jing , Yuhong Su","doi":"10.1016/j.cjsc.2026.100904","DOIUrl":"10.1016/j.cjsc.2026.100904","url":null,"abstract":"<div><div>The core of the challenge in designing phosphate nonlinear optical (NLO) materials lies in the simultaneous optimization tripartite roles of band gap, birefringence, and second harmonic generation (SHG), which are typically governed by conflicting structural factors. Herein, the π-conjugated –C(NH<sub>2</sub>)<sub>3</sub> group and N–H⋯O/O–H⋯O hydrogen bonds were coupled in a guanidinium pyrophosphate crystal of [C(NH<sub>2</sub>)<sub>3</sub>]<sub>4</sub>P<sub>2</sub>O<sub>7</sub>·H<sub>2</sub>O. The material achieves collaborative optimized optical performance: (i) short cut-off edge at 186 nm; (ii) moderate birefringence (Δ<em>n</em> = 0.065 at 546 nm); and (iii) substantial SHG efficiencies of 1.0 × KDP at 1064 nm and 0.3 × <em>β</em>-BaB<sub>2</sub>O<sub>4</sub> (<em>β</em>-BBO) at 532 nm. Theoretical calculations reveal that the dense hydrogen bond network not only widens the band gap by eliminating terminal O dangling bonds but also aligns polarizable structural units to enhance optical anisotropy and nonlinearity. These findings establish that multiple functional moieties as flexible structural components can provide a feasible and promising approach to enhance the comprehensive optical properties of phosphate NLO materials.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 6","pages":"Article 100904"},"PeriodicalIF":10.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247541","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

Efficient charge separation of RF/CdTMT S-scheme photocatalyst with enhanced photocatalytic H2O2 production RF/CdTMT s型光催化剂的高效电荷分离及增强光催化H2O2生成

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-01-30 DOI: 10.1016/j.cjsc.2026.100887

Yonghui Ma , Lei Ji , Jinfeng Zhang , Graham Dawson , Kai Dai

{"title":"Efficient charge separation of RF/CdTMT S-scheme photocatalyst with enhanced photocatalytic H2O2 production","authors":"Yonghui Ma , Lei Ji , Jinfeng Zhang , Graham Dawson , Kai Dai","doi":"10.1016/j.cjsc.2026.100887","DOIUrl":"10.1016/j.cjsc.2026.100887","url":null,"abstract":"<div><div>Photocatalytic hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) production (PHP) using solar energy exhibits remarkable advantages of environmental friendliness and a lack of pollution compared to the current anthraquinone method. However, the production efficiency of PHP is limited by the rapid recombination of photogenerated carriers. In this study, we successfully synthesized a resorcinol-formaldehyde resin/Cd<sub>3</sub>(C<sub>3</sub>N<sub>3</sub>S<sub>3</sub>)<sub>2</sub> (RF/CdTMT) S-scheme heterojunction photocatalyst via the oil bath method to enhance PHP. A series of characterization tests verify the successful construction of an S-scheme heterojunction which enhances the separation efficiency of photogenerated carriers. Through X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations, the charge transfer mechanism of the S-scheme heterojunction is elucidated. In pure water, the photocatalytic H<sub>2</sub>O<sub>2</sub> production performance of the composite is significantly enhanced: 15.15 times that of the single catalyst CdTMT and 3.01 times that of the RF, with excellent cycling stability. This study confirms that the S-scheme heterojunction can effectively suppress the recombination of photogenerated carriers, thereby enhancing the efficiency of photocatalytic reactions and providing new insights for efficient photocatalytic H<sub>2</sub>O<sub>2</sub> production.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 6","pages":"Article 100887"},"PeriodicalIF":10.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247542","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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