结构化学最新文献

英文中文

An unprecedented supramolecular docking strategy enables rapid structure-determination of long alkyl-chain compounds 前所未有的超分子对接策略使长烷基链化合物的快速结构测定成为可能

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-12-01 DOI: 10.1016/j.cjsc.2025.100721

Yanyan Yuan , Niu Zhang , Pangkuan Chen

引用次数: 0

Pentavalent praseodymium complexes culminated in the pursuit of high-valence lanthanide compounds 五价镨配合物在追求高价镧系化合物时达到顶峰

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100696

You-Song Ding, Qing-Song Yang, Zhiping Zheng

引用次数: 0

Magnetic field controlled electrocatalysis from a multidimensional catalytic perspective: Mechanisms, applications, and prospects for energy conversion 多维催化视角下的磁场控制电催化：能量转换的机理、应用和前景

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100662

Shanru Feng , Ling Wen , Li Zhang , Qinyu Jiang , Bozhao Zhang , Guohao Wu , Yue Wu , Jiabin Chen , Youcai Han , Chuhao Liu , Yu-Wu Zhong , Jiannian Yao

This review delves into the emerging field of multidimensional catalysis, with a particular focus on the regulation of electrocatalysis by external magnetic fields. It outlines the significance of electrocatalysis in clean energy conversion and storage, and how magnetic fields can enhance the efficiency, selectivity, and stability of electrocatalytic reactions through various mechanisms such as Lorentz force, magnetocaloric effects, and spin selectivity. The review also discusses the historical evolution of catalysis research from one-dimensional to multi-dimensional and highlights the role of magnetic fields in catalyst synthesis, mass transfer, electron transfer, and reaction kinetics. Furthermore, it summarizes key applications of magnetic fields in different electrocatalytic reactions, supported by theoretical calculations that provide insights into the microscopic mechanisms. This comprehensive overview not only offers a theoretical and experimental foundation for the development of new electrocatalysts but also paves the way for more efficient and sustainable electrocatalytic technologies, marking a significant step toward the advancement of clean energy solutions.

这篇综述深入研究了多维催化的新兴领域，特别侧重于外部磁场对电催化的调节。概述了电催化在清洁能源转化和储存中的重要意义，以及磁场如何通过洛伦兹力、磁热效应和自旋选择性等各种机制提高电催化反应的效率、选择性和稳定性。综述了催化研究从一维到多维的历史演变，强调了磁场在催化剂合成、传质、电子传递和反应动力学中的作用。此外，它总结了磁场在不同电催化反应中的关键应用，并通过理论计算提供了对微观机制的见解。这一综述不仅为新型电催化剂的开发提供了理论和实验基础，而且为更高效和可持续的电催化技术铺平了道路，标志着向清洁能源解决方案的进步迈出了重要的一步。

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引用次数: 0

Unveiling the dynamic reconstruction mechanism of NiMo alloy for enhanced 5-hydroxymethylfurfural electrooxidation 揭示了镍基合金5-羟甲基糠醛电氧化强化的动态重构机理

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100697

Shuaiqin Huang , Huan Wen , Shuyi Zheng, Zelong Sun, Junxin Chen, Zhangyue Zheng, Jia Wu, Shibin Yin

NiMo catalyst exhibits excellent catalytic performance in the electrooxidation of 5-hydroxymethylfurfural (HMF) to produce high-value 2,5-furandicarboxylic acid (FDCA). Although metallic nickel is known to undergo reconstruction into high-valent species during the reaction, the dynamic evolution of molybdenum components in NiMo catalyst and their mechanistic roles in catalytic reaction remain unclear. In this study, the structural evolution of NiMo alloy during HMF electrooxidation is systematically investigated. Operando analyses reveal that under anodic polarization, molybdenum undergoes oxidative dissolution in the form of MoO₄²⁻, concurrently driving the generation of high-valent Ni³⁺ species. Meanwhile, the dissolved MoO₄²⁻ re-adsorbs on the catalyst surface, forming a unique interfacial structure with Ni³⁺. Electrochemical results demonstrate that this surface structure facilitates a synergistic effect between the MoO₄²⁻ and high-valent Ni³⁺, enhancing the adsorption and activation of HMF molecules. Therefore, the NiMo alloy exhibits excellent catalytic performance, with a high FDCA selectivity of 99.0%. This study provides new insights into the relationship between the catalyst reconstruction process and enhancement of catalytic performance.

NiMo催化剂在5-羟甲基糠醛（HMF）电氧化制备高值2,5-呋喃二羧酸（FDCA）中表现出优异的催化性能。虽然已知金属镍在反应过程中重构为高价种，但钼组分在NiMo催化剂中的动态演化及其在催化反应中的机理尚不清楚。本研究系统地研究了HMF电氧化过程中NiMo合金的组织演变。Operando分析表明，在阳极极化下，钼以MoO42−的形式氧化溶解，同时驱动高价Ni3+的生成。同时，溶解的MoO42−在催化剂表面重新吸附，与Ni3+形成独特的界面结构。电化学结果表明，这种表面结构促进了MoO42−和高价Ni3+之间的协同作用，增强了HMF分子的吸附和活化。因此，NiMo合金表现出优异的催化性能，FDCA选择性高达99.0%。本研究对催化剂重构过程与催化性能提高之间的关系提供了新的认识。

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引用次数: 0

Enantiomeric organic amine-borane adduct crystals with room-temperature multi-channel switches 具有室温多通道开关的对映体有机胺-硼烷加合物晶体

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100715

Zi-Yi Yu , Gen-Feng Li , Zhe-Kun Xu , Lipeng Long , Yan Qin , Zi-Yi Du , Zhong-Xia Wang

Stimuli-responsive materials offer significant potential for high-security encryption, smart sensors, and optoelectronic switching due to their reversible state transitions triggered by external stimuli (temperature, light, or electric fields). Combining quasi-spherical molecular design with chiral engineering, we designed enantiomeric organic amine-borane adduct crystals exhibiting multi-channel switching behavior at room temperature. The strategic introduction of intramolecular hydrogen bonding and chirality in engineered R/S-HQNB crystals successfully enables room-temperature structural phase transitions. This transition is coupled with pronounced on-off switching in dielectric, SHG, and SHG-CD responses, demonstrating practical application potential through ambient-temperature operation, which is rarely documented in pure small molecule organic crystals. This advance establishes a pathway for functional organic materials design and enables chiral optical applications with integrated stimuli-responsive capabilities.

刺激响应材料由于其由外部刺激（温度、光或电场）触发的可逆状态转变，为高安全性加密、智能传感器和光电子开关提供了巨大的潜力。将准球形分子设计与手性工程相结合，设计了室温下具有多通道开关行为的有机胺硼烷加合物对映体晶体。在工程R/S-HQNB晶体中战略性地引入分子内氢键和手性，成功地实现了室温结构相变。这种转变与介电、SHG和SHG- cd响应的明显开关相结合，证明了通过室温操作的实际应用潜力，这在纯小分子有机晶体中很少有记录。这一进展为功能性有机材料的设计开辟了一条途径，并使具有综合刺激响应能力的手性光学应用成为可能。

引用次数: 0

MOF@MOF hierarchical heterotructures for enhanced photocatalytic H2O2 production and furfuryl alcohol oxidation MOF@MOF层次异质结构增强光催化H2O2生产和糠醇氧化

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100717

Hai-Bo Huang , Fang-Long Sun , Ze Luo , Meng-Yu Sun , Ben-Hao Liu , Xu-Sheng Wang , Hua Tang

By integrating photocatalytic H₂O₂ production with furfuryl alcohol (FAL) oxidation, this coupled process establishes an atom-economical pathway for sustainable chemical synthesis, simultaneously achieving energy storage and biomass valorization. This study introduces a meticulously engineered MOF@MOF hierarchical photocatalytic architecture, specifically the PCN-134@MOF-525 (PM-X series) composite, designed for synergistic catalysis of these processes. By strategically integrating two distinct MOF materials, we circumvent the limitations of single-component systems, such as facile charge carrier recombination, and establish a redox dual-active site catalytic system. This rational design transcends simple additivity, yielding emergent catalytic behaviors driven by precise control over interfacial electric fields and dynamic structural modulation. The resultant hierarchical organization enhances light harvesting, promotes efficient charge separation, and accelerates charge transfer kinetics. Mechanistic insights, derived from photoelectrochemical, spectroscopic, and in-situ IR analyses, reveal a synergistic interplay that suppresses electron-hole recombination and spatially segregates redox processes. PM-3 demonstrates a significant enhancement in catalytic efficiency (the highest value reported), exhibiting a 4.5-fold increase in both H₂O₂ production and FAL oxidation rates compared to the individual MOF components, achieving near-quantitative FAL conversion and exceptional selectivity. This work provides a potent design blueprint, emphasizing interfacial engineering and structural synergy for unprecedented efficiency and selectivity in sustainable chemical transformations.

通过将光催化H2O2生产与糠醇（FAL）氧化相结合，该耦合过程建立了可持续化学合成的原子经济途径，同时实现了能量储存和生物质增值。本研究介绍了一个精心设计的MOF@MOF分层光催化结构，特别是PCN-134@MOF-525 （PM-X系列）复合材料，专为这些过程的协同催化而设计。通过战略性地整合两种不同的MOF材料，我们规避了单组分体系的局限性，如易电荷载流子重组，并建立了一个氧化还原双活性位点催化体系。这种合理的设计超越了简单的可加性，产生了通过对界面电场的精确控制和动态结构调制驱动的紧急催化行为。由此产生的分层组织增强了光收集，促进了有效的电荷分离，并加速了电荷转移动力学。来自光电化学、光谱和原位红外分析的机理揭示了协同相互作用抑制电子-空穴复合和空间分离氧化还原过程。PM-3在催化效率方面表现出了显著的提高（报道的最高值），与单个MOF组分相比，其H2O2产量和FAL氧化率均提高了4.5倍，实现了近乎定量的FAL转化和卓越的选择性。这项工作提供了一个强有力的设计蓝图，强调界面工程和结构协同，以实现可持续化学转化的前所未有的效率和选择性。

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引用次数: 0

The role of ammonium formate electrolyte additive for aqueous zinc-ion batteries: Inducing Zn(002) deposition and suppressing hydrogen evolution 甲酸铵电解质添加剂在水性锌离子电池中的作用：诱导Zn（002）沉积和抑制析氢

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100706

Zerui Deng , Xincheng Liang , Xingfa Chen, Yuquan Gou, Anning Wang, Peixin Xie, Qian Liu, Huan Wen, Shibin Yin

Aqueous zinc-ion batteries (AZIBs) are promising due to the advantages of metallic zinc, including the high specific capacity (820 mAh g⁻¹), low redox potential (−0.76 V vs. SHE), inherent safety, low cost, and environmental sustainability. Despite these benefits, AZIBs face challenges such as uneven Zn deposition and excessive hydrogen evolution reaction (HER) at the Zn anode, which reduce the battery's coulombic efficiency and cycling life. This study introduces an ammonium formate (AF) additive into a 2.0 M ZnSO₄ electrolyte to address these issues. The AF additive promotes the three-dimensional rapid diffusion of Zn²⁺ on the anode surface and induces the preferential Zn(002) plane deposition, thus inhibiting dendrite growth and enhancing cycling stability. It also disrupts the hydrogen bond network of electrolyte, reducing the number of active H₂O molecules and suppressing H₂O-induced side reactions. Consequently, the Zn||Zn symmetric cell with the AF additive shows stable cycling over 2100 h at 5.0 mA cm⁻² with an areal capacity of 1.0 mAh cm⁻², and maintains stability over 9700 cycles at 30 mA cm⁻². When applied in a Zn||VO₂ full cell, it achieves capacity retention of 68.9% after 2000 cycles, which demonstrates significant performance improvements in AZIBs.

由于金属锌具有高比容量（820 mAh g−1）、低氧化还原电位（- 0.76 V vs. SHE）、固有安全性、低成本和环境可持续性等优点，水性锌离子电池（AZIBs）具有广阔的应用前景。尽管有这些优点，azib面临着锌阳极不均匀沉积和过度析氢反应（HER）等挑战，这些问题降低了电池的库仑效率和循环寿命。本研究将甲酸铵（AF）添加剂引入2.0 M ZnSO4电解质中来解决这些问题。AF添加剂促进Zn2+在阳极表面的三维快速扩散，诱导Zn（002）平面优先沉积，从而抑制枝晶生长，提高循环稳定性。它还会破坏电解质的氢键网络，减少活性H2O分子的数量，抑制H2O诱导的副反应。结果表明，含有AF添加剂的Zn||锌对称电池在5.0 mA cm - 2下可稳定循环2100小时，面积容量为1.0 mAh cm - 2，在30 mA cm - 2下可稳定循环9700次。当应用于Zn||VO2满电池时，经过2000次循环后，其容量保持率达到68.9%，这表明azib的性能得到了显著改善。

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引用次数: 0

Unlocking the engineering of solar-driven ZnO composites: From fundaments to sustainable and eco-friendly chemical energy 开启太阳能驱动ZnO复合材料的工程：从基础到可持续和环保的化学能

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100700

Irshad Ahmad , Yifei Zhang , Ayman Al-Qattan , S. AlFaify , Gao Li

Plastic pollution and elevated atmospheric CO₂ levels remain critical environmental challenges, whereas methane is increasingly recognized as a valuable feedstock for producing high-value chemicals. Photocatalysis offers a promising approach to harness abundant solar energy, converting it into sustainable and eco-friendly chemical energy for applications such as plastic degradation, CO₂ reduction, and methane oxidation. ZnO-based composites stand out due to their large surface areas, tunable band structures, and abundant active sites, making them highly suitable for these photocatalytic processes. Nonetheless, pure ZnO is hindered by rapid recombination of photoinduced e⁻/h⁺ pairs and limited absorption of visible light, restricting its photocatalytic efficiency. This review explores the fundamental mechanisms, synthesis strategies, and various ZnO-based composite materials that enhance photocatalytic plastic degradation, CO₂ conversion, and methane oxidation. Special attention is paid to identifying key challenges and how the formation of ZnO composites addresses these issues within the different catalytic reaction pathways to improve overall photocatalytic activity. Finally, existing challenges and prospective research avenues are discussed to guide future advancements.

塑料污染和大气二氧化碳浓度升高仍然是严峻的环境挑战，而甲烷越来越被认为是生产高价值化学品的宝贵原料。光催化提供了一种很有前途的方法来利用丰富的太阳能，将其转化为可持续和环保的化学能，用于塑料降解、二氧化碳还原和甲烷氧化等应用。zno基复合材料因其大的表面积、可调的能带结构和丰富的活性位点而脱颖而出，使其非常适合这些光催化过程。然而，由于光诱导的e−/h+对的快速重组和对可见光的有限吸收，限制了纯ZnO的光催化效率。本文综述了zno基复合材料在光催化塑料降解、CO2转化和甲烷氧化等方面的基本机理、合成策略和应用。特别关注的是确定关键挑战，以及ZnO复合材料的形成如何在不同的催化反应途径中解决这些问题，以提高整体光催化活性。最后，讨论了现有的挑战和未来的研究途径，以指导未来的发展。

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引用次数: 0

Recent progress of fluoride core-shell nanocrystals: Manipulating the non-steady-state of upconversion luminescence 氟化物核壳纳米晶体的研究进展：控制上转换发光的非稳态

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100713

Linke Zhang , Tao Pang , Lingwei Zeng , Feng Huang , Daqin Chen

Lanthanide-doped upconversion nanoparticles exhibit unique optical properties, enabling the conversion of low-energy photons into high-energy ones. This capability has facilitated their extensive application in fields such as bioimaging and information security. Traditional research has primarily focused on steady-state characteristics, with strategies such as core-shell structural design, ion doping, and surface passivation being employed to achieve high-brightness luminescence and color tuning. Over the past decade, the study of non-steady-state characteristics has emerged as a research hotspot and has introduced a new dimension for the dynamic control of luminescence. This review systematically surveys the mechanisms, manipulation strategies, and characterization methods of non-steady-state upconversion luminescence and provides an overview of the latest advancements in its applications, including multi-dimensional anti-counterfeiting, full-color volumetric display, velocimetry, photonic coding, and logic operation. Furthermore, this review analyzes the current limitations in studying the non-steady-state characteristics of lanthanide-doped fluoride nanostructures and offers perspectives on future development directions. Collectively, these efforts provide a comprehensive framework of knowledge for the field and lay the foundation for further development and expansion of non-steady-state upconversion technologies. We anticipate that this review will provide fundamental insights and guidance for manipulating upconversion properties, thereby further promoting their applications and advancing non-steady-state upconversion technologies.

掺杂镧系元素的上转换纳米粒子具有独特的光学特性，能够将低能光子转换为高能光子。这种能力促进了它们在生物成像和信息安全等领域的广泛应用。传统的研究主要集中在稳态特性上，采用核壳结构设计、离子掺杂和表面钝化等策略来实现高亮度发光和颜色调谐。近十年来，非稳态特性的研究成为一个研究热点，为发光的动态控制引入了一个新的维度。本文系统地综述了非稳态上转换发光的机理、操作策略和表征方法，并概述了其在多维防伪、全彩体积显示、速度测量、光子编码和逻辑运算等方面的最新应用进展。此外，本文还分析了目前研究镧系掺杂氟纳米结构非稳态特性的局限性，并对未来的发展方向进行了展望。总的来说，这些努力为该领域提供了一个全面的知识框架，并为非稳态上转换技术的进一步发展和扩展奠定了基础。我们期望这一综述将为操纵上转换特性提供基本的见解和指导，从而进一步促进其应用和推进非稳态上转换技术。

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引用次数: 0

Construction and structural evolution of heterostructured cobalt-iron alloys@phosphates as oxygen evolution electrocatalyst toward rechargeable Zn-air battery 异质结构钴铁alloys@phosphates作为可充电锌空气电池析氧电催化剂的构建与结构演化

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-11-01 DOI: 10.1016/j.cjsc.2025.100699

Yukang Xiong, Lin Lv, Guokun Ma, Hanbin Wang, Houzhao Wan, Hao Wang

Addressing the kinetic limitations of oxygen evolution reaction (OER) is paramount for advancing rechargeable Zn-air batteries, thus it is extremely urgent to drive the development of effective and affordable electrocatalysts. This work constructs the interfacial structure of cobalt-iron alloys@phosphates (denoted as CoFe/Co–Fe–PO) as OER catalyst through a two-step approach using water-bath and hydrothermal methods, which demonstrated significant OER activity in alkaline media, requiring a low overpotential of 271 mV to achieve 10 mA cm⁻² and exhibiting a competitive Tafel slope of 65 mV dec⁻¹, alongside sustained operational stability. The enhanced performance can be attributed to the improved electrical conductivity due to the participation of CoFe alloys and the increased number of active sites through partial phosphorylation, which synergistically enhances charge transfer processes and accelerates OER kinetics. Moreover, dynamic structural evolution during OER process was thoroughly probed, and the results show that alloys@phosphates gradually evolve into phosphate radical-modified Co–Fe hydroxyoxides that act as the actual active phase. Highlighting its practical applicability, the integration of prepared catalyst into zinc-air batteries leads to markedly improved performance, thereby offering promising new strategic directions for the development of next-generation OER electrocatalysts.

解决析氧反应（OER）的动力学限制对于推进可充电锌空气电池的发展至关重要，因此推动高效、经济的电催化剂的开发迫在眉睫。本研究通过水浴和水热两步法构建了钴铁alloys@phosphates（表示为CoFe/ Co-Fe-PO）作为OER催化剂的界面结构，该结构在碱性介质中显示出显著的OER活性，需要271 mV的低过电位才能达到10 mA cm - 2，并表现出65 mV dec - 1的竞争Tafel斜率，以及持续的操作稳定性。性能的增强可归因于CoFe合金的参与提高了电导率，并通过部分磷酸化增加了活性位点的数量，从而协同增强了电荷转移过程并加速了OER动力学。此外，对OER过程中的动态结构演化进行了深入的研究，结果表明alloys@phosphates逐渐演化为磷酸基修饰的Co-Fe羟基氧化物作为实际的活性相。将制备好的催化剂集成到锌空气电池中，显著提高了电池的性能，从而为下一代OER电催化剂的发展提供了新的战略方向。

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