IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-07 DOI: 10.1016/j.cjsc.2026.100906

Weiming Lai , Yangyang Wan , Kai Yan

引用次数: 0

Atomic-level visualization of helical polymers within chiral MOF channels 手性MOF通道内螺旋聚合物的原子水平可视化

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-16 DOI: 10.1016/j.cjsc.2026.100910

Xue-Xia Lu , Bo-Wen Dai , Liang-Jin Xu

引用次数: 0

An imine detour to vinylene-linked covalent organic frameworks 亚胺绕道乙烯连接的共价有机框架

IF 10.3 4区化学

结构化学 Pub Date : 2026-06-01 Epub Date: 2026-02-14 DOI: 10.1016/j.cjsc.2026.100911

Yuexin Wang, Xianjun Lang

引用次数: 0

Acid-humidification strategy for suppressing salt formation to enhance the CO2 reduction reaction stability 抑制盐形成的酸加湿策略提高CO2还原反应的稳定性

IF 10.3 4区化学

结构化学 Pub Date : 2026-05-01 Epub Date: 2026-01-30 DOI: 10.1016/j.cjsc.2026.100888

Wenjing Dai, Xiaohui Zhang, Zhen Yin

引用次数: 0

Computer-aided search and targeted synthesis of infrared nonlinear optical materials in tin-containing sulfides 含锡硫化物中红外非线性光学材料的计算机辅助搜索与定向合成

IF 10.3 4区化学

结构化学 Pub Date : 2026-05-01 Epub Date: 2026-01-29 DOI: 10.1016/j.cjsc.2026.100885

Yidan Chen, Yan Xiao, Yumiao Niu, Chu Chu, Ying Wang, Daqing Yang, Bingbing Zhang

引用次数: 0

Photosynthesis of CH4 and H2O2 from CO2 and H2O over Pd/SnNb2O6 via strong metal-support interaction CO2和H2O在Pd/SnNb2O6上的CH4和H2O2的强金属负载作用

IF 10.3 4区化学

结构化学 Pub Date : 2026-05-01 Epub Date: 2026-01-17 DOI: 10.1016/j.cjsc.2026.100866

Jiaxin Zhang , Yingzhang Shi , Zhiwen Wang , Yujie Song , Dongpeng Yan

{"title":"Photosynthesis of CH4 and H2O2 from CO2 and H2O over Pd/SnNb2O6 via strong metal-support interaction","authors":"Jiaxin Zhang , Yingzhang Shi , Zhiwen Wang , Yujie Song , Dongpeng Yan","doi":"10.1016/j.cjsc.2026.100866","DOIUrl":"10.1016/j.cjsc.2026.100866","url":null,"abstract":"<div><div>The construction of bifunctional photocatalysts that integrate oxidative and reductive sites for concurrent CO2-to-CH4 and H2O-to-H2O2 conversion under visible light remains a formidable challenge. Herein, a facile photodeposition route was designed to support Pd nanoparticles (4.5 nm) onto SnNb2O6 nanosheets (3.5 nm) for constructing a photocatalyst (Pd-PNS). Under visible-light irradiation (λ ≥ 400 nm) and without any sacrificial agent, the optimized Pd-PNS catalyst achieves CH4 and H2O2 evolution rates of 24.3 and 79.2 μmol g−1 h−1, respectively (1:4 stoichiometry), with an apparent quantum efficiency (CH4) of 0.023% at 420 nm, outperforming most reported systems operated under equivalent conditions. The results of characterizations reveal the formation of a strong metal-support interaction (SMSI) and a Schottky junction between Pd and SnNb2O6. SMSI causes the loss of lattice oxygens, thus generating Nb4+ and O vacancies. The Schottky junction induces the migration of photogenerated electrons to Pd NPs, while holes are trapped at lattice oxygen sites (around Nb4+), thereby improving charge transfer and separation. CO2 is reduced to CH4 on Pd NPs, while H2O is oxidized to H2O2 on Nb4+ sites, validating a true dual-site photocatalytic cycle (CO2 + 6H2O → CH4 + 4H2O2). This work offers a valuable strategy for sacrificial-free co-production of solar fuel and green oxidant by photoinducing SMSI in a photocatalyst.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 5","pages":"Article 100866"},"PeriodicalIF":10.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147871895","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

Rapid and stable degradation of dichlorvos on chili pepper and histamine in sardines using S-scheme Al6Si2O13/g-C3N4 nanocomposites S-scheme Al6Si2O13/g-C3N4纳米复合材料快速稳定降解敌敌畏对辣椒和沙丁鱼组织胺的影响

IF 10.3 4区化学

结构化学 Pub Date : 2026-05-01 Epub Date: 2026-01-21 DOI: 10.1016/j.cjsc.2026.100867

Aoyun Meng , Zhenhua Li , Guoyuan Xiong , Zhen Li , Jinfeng Zhang

{"title":"Rapid and stable degradation of dichlorvos on chili pepper and histamine in sardines using S-scheme Al6Si2O13/g-C3N4 nanocomposites","authors":"Aoyun Meng , Zhenhua Li , Guoyuan Xiong , Zhen Li , Jinfeng Zhang","doi":"10.1016/j.cjsc.2026.100867","DOIUrl":"10.1016/j.cjsc.2026.100867","url":null,"abstract":"<div><div>As food safety concerns grow, controlling organophosphorus pesticide residues and food spoilage substances has become a priority. Effectively degrading contaminants like dichlorvos (DDVP) on chili peppers and histamine (HA) in sardines is crucial for food safety. This study explores the rapid degradation and mechanism of DDVP on chili pepper surfaces and HA in sardines using S-scheme Al6Si2O13/g-C3N4 (ASO/CN) nanocomposites. Rapid detection methods analyzed standard solutions of DDVP and HA. The synthesized ASO/CN nanocomposites showed excellent photocatalytic activity, reducing DDVP from 100% to 17.7% in 100 min, outperforming individual ASO and CN. The catalyst maintained high degradation efficiency over five cycles (500 min). The ASO/CN nanocomposites also degraded HA in sardines, lowering it from 100% to 9.2% in 70 min, with stable performance over five cycles (350 min). Characterization techniques, including in situ X-ray photoelectron spectroscopy (XPS), Kelvin probe force microscopy (KPFM), femtosecond transient absorption spectroscopy (fs-TAS), and differential charge density calculations, confirmed an S-scheme photocatalytic mechanism that enhanced radical formation. Based on these findings, practical tests under natural conditions were conducted. The catalyst reduced DDVP on chili peppers from 100% to 39.2% over seven days, outperforming the control (100%–78%). In sardines, HA in the ASO/CN-treated group increased from 25.1% to 71.6% over five days, while the untreated group increased from 25% to 90.5%. These results offer a new approach for organophosphorus pesticide degradation and meat preservation.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 5","pages":"Article 100867"},"PeriodicalIF":10.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147871911","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

Fast hydrogenolytic debenzylation enabled by hierarchically ordered porosity and accessibly rich Pd(0) sites 快速氢解脱苄基化由层次有序的孔隙和可接近的丰富Pd(0)位点实现

IF 10.3 4区化学

结构化学 Pub Date : 2026-05-01 Epub Date: 2026-01-29 DOI: 10.1016/j.cjsc.2026.100884

Zhe Li , Gui-Long Wang , Xin Feng , Jia-Hui Guo , Lu Bai , Jie Chen , Ming-Shui Yao

{"title":"Fast hydrogenolytic debenzylation enabled by hierarchically ordered porosity and accessibly rich Pd(0) sites","authors":"Zhe Li , Gui-Long Wang , Xin Feng , Jia-Hui Guo , Lu Bai , Jie Chen , Ming-Shui Yao","doi":"10.1016/j.cjsc.2026.100884","DOIUrl":"10.1016/j.cjsc.2026.100884","url":null,"abstract":"<div><div>Hydrogenolytic debenzylation is a crucial step to restore the activity of the protected functional groups for targeted compounds while avoiding the formation of by-products. However, conventional methods suffer from low catalytic efficiency due to slow mass transport and/or severe leaching or agglomeration of active species. It highlighted the urgent need to develop catalysts that enable the coexistence of high mass transport and abundant active sites. In this work, as a proof of concept, a series of bimetallic PdM catalysts (M = Fe, Ni, Cu) anchored on hierarchically ordered porous skeletons were developed to enable the fast hydrogenolytic debenzylation of tetraacetyldibenzylhexaazaisowurtzitane (TADBIW) into tetraacetylhexaazaisowurtzitane (TAIW). We demonstrate that a hierarchically ordered macroporous N-doped carbon (DOM-NC) scaffold can simultaneously guarantee rapid diffusion of the bulky substrate (TADBIW) and stabilize electron-rich Pd(0) species when a trace amount of Ni is co-introduced. The resulting PdNi/DOM-NC catalyst delivers 97.30% yield of TAIW within 2.5 h at an ultra-low Pd loading (Pd:TADBIW = 2.5 wt‰) and retains > 95% activity after four cycles without detectable Pd loss. Structural and theoretical analyses reveal that (i) the 3DOM architecture shortens diffusion lengths, (ii) adjacent Ni atoms transfer electron density to Pd, increasing the surface Pd(0) fraction, and (iii) the Ni–Pd synergy lowers the H2 dissociation barrier and accelerates the rate-determining second debenzylation step. This study provides new insights into the rational design of highly efficient noble-metal-based heterogeneous catalysts and offers guidance for developing catalysts for other macromolecular hydrogenolysis reactions.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 5","pages":"Article 100884"},"PeriodicalIF":10.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147871792","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

Localized Co3O4/In2S3 S-scheme heterojunction by polarization engineering for achieving an exceptional H2 efficiency 利用极化工程实现局域化Co3O4/In2S3 S-scheme异质结以获得优异的H2效率

IF 10.3 4区化学

结构化学 Pub Date : 2026-05-01 Epub Date: 2026-01-28 DOI: 10.1016/j.cjsc.2026.100870

Mengru Qu , Chuanzhi Sun , Shujuan Jiang , Shaoqing Song

{"title":"Localized Co3O4/In2S3 S-scheme heterojunction by polarization engineering for achieving an exceptional H2 efficiency","authors":"Mengru Qu , Chuanzhi Sun , Shujuan Jiang , Shaoqing Song","doi":"10.1016/j.cjsc.2026.100870","DOIUrl":"10.1016/j.cjsc.2026.100870","url":null,"abstract":"<div><div>Efficient spatial separation and orderly migration of charge carriers, as well as robust kinetics at catalytic sites, constitute the fundamental and core issues in enhancing the conversion of solar energy into hydrogen from water splitting. Herein, surface localization polarization engineering has been confirmed to be effective to accelerate the oriented charge migration dynamics behaviour and collaboratively activate redox crystal facets on the constructed Co3O4/In2S3 S-scheme heterojunction. Theoretical calculations and ultrafast atomic-scale spatiotemporal analysis demonstrate that Co3O4/In2S3 heterojunction endows the surface localized field pointing from the hexagonal In2S3{102} to cubic Co3O4{111} with an increased field strength on the basis of Co3O4 from 0.27 to 2.19 μV and lifetime from 260.99 to 975.18 ns for charge carrier transfer to the surface of the redox crystal facets. Polarization-state charge uneven distribution reduces and enhances the binding energy of components on active crystal facets thus with correspondingly increasing and decreasing onsite electron density for promoting chemical adsorption of ∗H and ∗OH, respectively. Solar to H2 of 1.32% at AM 1.5 G is achieved along with high photocatalytic stability. Surface polarization engineering plays a pivotal role in our study, enabling substantial tuning of charge transfer behavior and crystal facet surface activation within S-scheme heterojunctions for the improved photocatalytic H2 generation.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 5","pages":"Article 100870"},"PeriodicalIF":10.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147871887","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

Manganese valence modulation in ZnGa2O4 via simultaneously localized charge accumulation and oxygen vacancy engineering controlled by Li+ and F− substitutions for tailored applications 通过Li+和F -取代控制的局域电荷积累和氧空位工程同时调制ZnGa2O4中的锰价

IF 10.3 4区化学

结构化学 Pub Date : 2026-05-01 Epub Date: 2026-01-23 DOI: 10.1016/j.cjsc.2026.100868

Chunxuan Chen, Wanyuan Li, Chengyu Ni, Wubin Dai

{"title":"Manganese valence modulation in ZnGa2O4 via simultaneously localized charge accumulation and oxygen vacancy engineering controlled by Li+ and F− substitutions for tailored applications","authors":"Chunxuan Chen, Wanyuan Li, Chengyu Ni, Wubin Dai","doi":"10.1016/j.cjsc.2026.100868","DOIUrl":"10.1016/j.cjsc.2026.100868","url":null,"abstract":"<div><div>Mn-activated phosphors have attracted great attention, but the inevitable self-reduction of Mn4+ to Mn2+ and precise regulation of Mn4+/Mn2+ content remain serious challenges. Herein, through solid-state reaction in air, we demonstrate that the degree of self-reduction and valence of Mn can be accurately manipulated in normal spinel ZnGa2O4 (ZGO) by incorporation of Li+ and F−, achieving color-tunable photoluminescence (PL) as desired, from blue self-luminescence to red/green emission of Mn4+/Mn2+. Both theoretical (i.e., density functional theory (DFT), bond energy theory) and experimental (i.e., dynamic/static spectroscopy) analyses indicate that Li+ occupying the tetrahedral Zn2+ site can push Mn4+ into the octahedral Ga3+ site and restrain self-reduction of Mn4+ owing to localized charge accumulation around Li+ that depletes excess electrons. Furthermore, F− substitution can repair intrinsic oxygen vacancies, further suppressing self-reduction and detrimental electron-capturing effects. Meanwhile, Li+/F− incorporation can distort ZGO and break the forbidden transition of Mn4+, leading to broadened PL and enhanced efficiency. The long-persistent PL (LPL) of ZGO:Mn/Li/F with wide shallow/deep traps is also explored in depth. Finally, the Li/F-dependent tunable PL and LPL of ZGO:Mn/Li/F show great potential for applications in ratiometric optical thermometers, plant lighting, white LEDs, and dynamic anticounterfeiting.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"45 5","pages":"Article 100868"},"PeriodicalIF":10.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147871916","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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