结构化学最新文献

英文中文

Cation potential guiding structural regulation of lithium halide superionic conductors

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-03-01 DOI: 10.1016/j.cjsc.2024.100448

Yinghui Xia, Yixi Lin, Zhenming Xu

引用次数: 0

Interface reconstruction of hybrid oxide electrocatalysts for seawater oxidation

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-03-01 DOI: 10.1016/j.cjsc.2024.100442

Wenjing Dai , Lan Luo , Zhen Yin

引用次数: 0

Donor-acceptor type organic cocrystals for deep-red circularly polarized luminescence and two-photon excited emission

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-03-01 DOI: 10.1016/j.cjsc.2025.100513

Jiawei Li , Cheng Chen , Mingyan Wu

引用次数: 0

Revealing the reactant adsorption role of high-valence WO3 for boosting urea-assisted water splitting

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-03-01 DOI: 10.1016/j.cjsc.2025.100519

Wenjie Jiang, Zhixiang Zhai, Xiaoyan Zhuo, Jia Wu, Boyao Feng, Tianqi Yu, Huan Wen, Shibin Yin

Ni-based electrocatalysts are considered a promising choice for urea-assisted hydrogen production. However, its application remains challenging owing to the high occupancy of d orbital at the Ni site, which suppresses the reactant adsorption to achieve satisfactory urea oxidation reaction (UOR) and hydrogen evolution reaction (HER) activity. Herein, the WO₃ site with empty d orbital is introduced into Ni₃S₂ to construct dual active sites for regulating the adsorption of reactive molecules. Experimental and theoretical calculations indicate that the electron transfer from Ni₃S₂ to WO₃ forms electron-deficient Ni with sufficient empty d orbitals for optimizing urea/H₂O adsorption and tuning the adsorption behavior of the amino and carbonyl groups in urea. Consequently, the Ni₃S₂-WO₃/NF presents a remarkably low potential of 1.38 V to reach 10 mA cm⁻² for UOR-assisted HER. This work highlights the significance of constructing synergistic dual active sites toward developing advanced catalysts for urea-assisted hydrogen production.

{"title":"Revealing the reactant adsorption role of high-valence WO3 for boosting urea-assisted water splitting","authors":"Wenjie Jiang, Zhixiang Zhai, Xiaoyan Zhuo, Jia Wu, Boyao Feng, Tianqi Yu, Huan Wen, Shibin Yin","doi":"10.1016/j.cjsc.2025.100519","DOIUrl":"10.1016/j.cjsc.2025.100519","url":null,"abstract":"<div><div>Ni-based electrocatalysts are considered a promising choice for urea-assisted hydrogen production. However, its application remains challenging owing to the high occupancy of d orbital at the Ni site, which suppresses the reactant adsorption to achieve satisfactory urea oxidation reaction (UOR) and hydrogen evolution reaction (HER) activity. Herein, the WO3 site with empty d orbital is introduced into Ni3S2 to construct dual active sites for regulating the adsorption of reactive molecules. Experimental and theoretical calculations indicate that the electron transfer from Ni3S2 to WO3 forms electron-deficient Ni with sufficient empty d orbitals for optimizing urea/H2O adsorption and tuning the adsorption behavior of the amino and carbonyl groups in urea. Consequently, the Ni3S2-WO3/NF presents a remarkably low potential of 1.38 V to reach 10 mA cm−2 for UOR-assisted HER. This work highlights the significance of constructing synergistic dual active sites toward developing advanced catalysts for urea-assisted hydrogen production.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"44 3","pages":"Article 100519"},"PeriodicalIF":5.9,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629970","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

Solar-powered heterogeneous water disinfection nano-system 太阳能异质水消毒纳米系统

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-03-01 DOI: 10.1016/j.cjsc.2024.100439

Xiaoyu Zhang, Xin Yu

引用次数: 0

Break the capacity limit of Li4Ti5O12 anodes through oxygen vacancy engineering

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-02-01 DOI: 10.1016/j.cjsc.2024.100504

Jianjun Fang , Kunchen Xie , Yongli Song , Kangyi Zhang , Fei Xu , Xiaoze Shi , Ming Ren , Minzhi Zhan , Hai Lin , Luyi Yang , Shunning Li , Feng Pan

The zero-strain spinel Li₄Ti₅O₁₂ stands out as a promising anode material for lithium-ion batteries due to its outstanding cycling stability. However, the limited theoretic specific capacity, low Li⁺ diffusion coefficient and electronic conductivity severely hinder its practical application. In this study, we demonstrate a strategy of introducing abundant oxygen vacancies not only on the surface and but also inside the bulk of Li₄Ti₅O₁₂ particles via reductive thermal sintering. The oxygen vacancies can significantly enhance the electronic conductivity and lithium-ion diffusion coefficient of Li₄Ti₅O₁₂, leading to a remarkable improvement in rate performance and a reduction in polarization. Moreover, additional lithium-ion accommodation sites can be created at the defective surface, contributing to a high specific capacity of over 200 mAh g⁻¹.

引用次数: 0

Molecular conformational effects on co-assembly systems of low-symmetric carboxylic acids investigated by scanning tunneling microscopy

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-02-01 DOI: 10.1016/j.cjsc.2025.100511

Yutong Xiong , Ting Meng , Wendi Luo , Bin Tu , Shuai Wang , Qingdao Zeng

The assembly behaviors of two low-symmetric carboxylic acid molecules (5′-(6-carboxynaphthalen-2-yl)-[1,1′:3′,1′′-triphenyl]-3,4′′,5-tricarboxylic acid (CTTA) and 3′,5′-bis(6-carboxynaphthalen-2-yl)-[1,1′-biphenyl]-3,5-dicarboxylic acid (BCBDA)) containing naphthalene rings on graphite surfaces have been investigated using scanning tunneling microscopy (STM). The transformation of nanostructures induced by the second components (EDA and PEBP-C4) have been also examined. Both CTTA and BCBDA molecules self-assemble at the 1-heptanoic acid (HA)/HOPG interface, forming porous network structures. The dimer represents the most elementary building unit due to the formation of double hydrogen bonds. Moreover, the flipping of naphthalene ring results in the isomerization of BCBDA molecule. The introduction of carboxylic acid derivative EDA disrupts the dimer, which subsequently undergoes a structural conformation to form a novel porous structure. Furthermore, upon the addition of pyridine derivative PEBP-C4, N–H⋯O hydrogen bonds are the dominant forces driving the three co-assembled structures. We have also conducted density functional theory (DFT) calculations to determine the molecular conformation and analyze the mechanisms underlying the formation of nanostructures.

{"title":"Molecular conformational effects on co-assembly systems of low-symmetric carboxylic acids investigated by scanning tunneling microscopy","authors":"Yutong Xiong , Ting Meng , Wendi Luo , Bin Tu , Shuai Wang , Qingdao Zeng","doi":"10.1016/j.cjsc.2025.100511","DOIUrl":"10.1016/j.cjsc.2025.100511","url":null,"abstract":"<div><div>The assembly behaviors of two low-symmetric carboxylic acid molecules (5′-(6-carboxynaphthalen-2-yl)-[1,1′:3′,1′′-triphenyl]-3,4′′,5-tricarboxylic acid (CTTA) and 3′,5′-bis(6-carboxynaphthalen-2-yl)-[1,1′-biphenyl]-3,5-dicarboxylic acid (BCBDA)) containing naphthalene rings on graphite surfaces have been investigated using scanning tunneling microscopy (STM). The transformation of nanostructures induced by the second components (EDA and PEBP-C4) have been also examined. Both CTTA and BCBDA molecules self-assemble at the 1-heptanoic acid (HA)/HOPG interface, forming porous network structures. The dimer represents the most elementary building unit due to the formation of double hydrogen bonds. Moreover, the flipping of naphthalene ring results in the isomerization of BCBDA molecule. The introduction of carboxylic acid derivative EDA disrupts the dimer, which subsequently undergoes a structural conformation to form a novel porous structure. Furthermore, upon the addition of pyridine derivative PEBP-C4, N–H⋯O hydrogen bonds are the dominant forces driving the three co-assembled structures. We have also conducted density functional theory (DFT) calculations to determine the molecular conformation and analyze the mechanisms underlying the formation of nanostructures.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"44 2","pages":"Article 100511"},"PeriodicalIF":5.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143395874","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

Tailoring the configuration of polymer passivators in perovskite solar cells 调整过氧化物太阳能电池中聚合物钝化剂的配置

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-02-01 DOI: 10.1016/j.cjsc.2024.100413

Yaohua Li , Qi Cao , Xuanhua Li

引用次数: 0

A new SIFSIX anion pillared cage MOF with crs topological structure for efficient C2H2/CO2 separation

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-02-01 DOI: 10.1016/j.cjsc.2024.100508

Huirong Chen , Yingzhi He , Yan Han , Jianbo Hu , Jiantang Li , Yunjia Jiang , Basem Keshta , Lingyao Wang , Yuanbin Zhang

Due to the similar physicochemical properties of acetylene (C₂H₂) and carbon dioxide (CO₂), separating C₂H₂ from a CO₂/C₂H₂ mixture poses a significant challenge in the petrochemical industry. Herein, we successfully synthesized a novel SiF₆²⁻ anion pillared cage metal-organic framework ZNU-15 possessing a new crs topological structure for the selective capture of C₂H₂. As a linear bidentate linker, the fluorinated SiF₆²⁻ anion partitions the pores into various sized cages. ZNU-15 displays moderate adsorption for C₂H₂ with a capacity of 36.0 cm³ g⁻¹ at 298 K and 1 bar, which is 2.7 times higher than the CO₂ uptake. The IAST selectivity of C₂H₂/CO₂ for ZNU-15 at 298 K and 100 kPa is 10.5, surpassing that of most reported materials. The Q_st values for C₂H₂ and CO₂ at zero coverage are 54.0 and 42.8 kJ mol⁻¹, respectively. Moreover, breakthrough experimental tests show that ZNU-15 is capable of effectively separating C₂H₂ from a C₂H₂/CO₂ mixture. Theoretical calculations further indicate that C₂H₂ is preferentially trapped by the small cage with four cooperative hydrogen bonds.

{"title":"A new SIFSIX anion pillared cage MOF with crs topological structure for efficient C2H2/CO2 separation","authors":"Huirong Chen , Yingzhi He , Yan Han , Jianbo Hu , Jiantang Li , Yunjia Jiang , Basem Keshta , Lingyao Wang , Yuanbin Zhang","doi":"10.1016/j.cjsc.2024.100508","DOIUrl":"10.1016/j.cjsc.2024.100508","url":null,"abstract":"<div><div>Due to the similar physicochemical properties of acetylene (C2H2) and carbon dioxide (CO2), separating C2H2 from a CO2/C2H2 mixture poses a significant challenge in the petrochemical industry. Herein, we successfully synthesized a novel SiF62− anion pillared cage metal-organic framework ZNU-15 possessing a new crs topological structure for the selective capture of C2H2. As a linear bidentate linker, the fluorinated SiF62− anion partitions the pores into various sized cages. ZNU-15 displays moderate adsorption for C2H2 with a capacity of 36.0 cm3 g−1 at 298 K and 1 bar, which is 2.7 times higher than the CO2 uptake. The IAST selectivity of C2H2/CO2 for ZNU-15 at 298 K and 100 kPa is 10.5, surpassing that of most reported materials. The Qst values for C2H2 and CO2 at zero coverage are 54.0 and 42.8 kJ mol−1, respectively. Moreover, breakthrough experimental tests show that ZNU-15 is capable of effectively separating C2H2 from a C2H2/CO2 mixture. Theoretical calculations further indicate that C2H2 is preferentially trapped by the small cage with four cooperative hydrogen bonds.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"44 2","pages":"Article 100508"},"PeriodicalIF":5.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143395793","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

Pyridinic nitrogen-substituted graphene membranes for exceptional CO2 capture

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-02-01 DOI: 10.1016/j.cjsc.2024.100440

Sushu Zhang , Yang Yang , Jingyu Wang

引用次数: 0

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