Progress in Solid State Chemistry最新文献

A comprehensive review on advancements, challenges, and future possibilities of biomass-derived porous carbon for supercapacitors 综述了生物质衍生多孔碳超级电容器的进展、挑战和未来可能性

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2026-01-17 DOI: 10.1016/j.progsolidstchem.2026.100572

Gopika M G , Anuja Sudarsanan , Sreelatha K S , Beena Saraswathyamma

The evolving need for eco-friendly and efficient energy storage devices has prompted the exploration of sustainable electrode materials. Biomass-derived porous carbon stands out from traditional carbon materials due to its supercapacitor application advantages, which include natural availability, cost-effectiveness, low carbon superstructure porosity, easy structural modification, and heteroatom content. This review focuses on synthesis and structural performance of biomass-derived porous carbon electrodes, while also highlighting their electrochemical functionality and practical challenges. Recent research shows significant electrochemical performance, including specific capacitance over 300F/g, energy density of 60 Wh/kg in asymmetric configurations, and sustained cycling stability (greater than 90 % after 10,000 cycles). These advances have been offset by critical obstacles including feedstock inconsistency, environmental challenges from chemical activation, limited scalability, lack of measurement standards, and performance benchmarks. This review describes such gaps in detail and proposes green material synthesis, eco-friendly machine learning design, and lifecycle sustainability furthering material performance as primary focal points.

对生态友好和高效的能量存储设备的不断发展的需求促使了对可持续电极材料的探索。生物质衍生多孔碳因其在超级电容器中的应用优势而从传统碳材料中脱颖而出，这些优势包括自然可用性、成本效益、低碳上层结构孔隙度、易于结构修饰和杂原子含量。本文综述了生物质衍生多孔碳电极的合成和结构性能，同时也强调了它们的电化学功能和实际挑战。最近的研究显示了显著的电化学性能，包括比电容超过300F/g，不对称配置的能量密度为60 Wh/kg，持续的循环稳定性（10,000次循环后大于90%）。这些进步被一些关键障碍所抵消，包括原料不一致、化学活化带来的环境挑战、有限的可扩展性、缺乏测量标准和性能基准。这篇综述详细描述了这些差距，并提出绿色材料合成、生态友好型机器学习设计和生命周期可持续性作为主要焦点，进一步提高材料性能。

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引用次数: 0

Wettability influenced crystallization of REBa2Cu3O7-x superconductors 润湿性影响REBa2Cu3O7-x超导体的结晶

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2026-01-05 DOI: 10.1016/j.progsolidstchem.2026.100571

SiMin Huang, Xin Yao

This review systematically explores the pivotal role of wettability in the crystallization of REBa₂Cu₃O_7-x (REBCO) superconductors, highlighting its impact on crystal growth, structural quality, and superconducting performance. The discussion involves three fabrication methods: Top-Seeded Solution Growth (TSSG), Traveling-Solvent Floating-Zone (TSFZ), and Top-Seeded Melt Growth (TSMG). Conventional Y₂O₃ crucibles lead to severe Ba–Cu–O liquid loss, while modified crucibles, such as Fe–Y₂O₃ and Ca–ZrO₂ reduce wettability, allowing stable growth of large, doped crystals. In TSFZ processes, modified precursor rods (Y₂O₃+Ba₂Cu₃O_y) with low wettability effectively suppress liquid migration and stabilize the molten zone, facilitating Y123 crystal growth. For TSMG approach, the thermal stability of REBCO film seeds correlates with melt wettability, with compositional modifications such as Ba-rich melts or buffer layers optimizing interfacial energy to enhance seed performance. These insights into tailored wettability provide practical guidelines for optimizing REBCO crystals and offer transferable principles for other advanced materials.

本文系统探讨了润湿性在REBa2Cu3O7-x （REBCO）超导体结晶过程中的关键作用，重点介绍了润湿性对晶体生长、结构质量和超导性能的影响。讨论了三种制备方法：顶部种子溶液生长（TSSG），流动溶剂漂浮区（TSFZ）和顶部种子熔体生长（TSMG）。传统的Y2O3坩埚导致严重的Ba-Cu-O液体损失，而改性的坩埚，如Fe-Y2O3和Ca-ZrO2，降低了润湿性，允许大的掺杂晶体稳定生长。在TSFZ工艺中，具有低润湿性的改性前驱体棒（Y2O3+Ba2Cu3Oy）有效抑制了液相迁移，稳定了熔融区，有利于Y123晶体的生长。对于TSMG方法，REBCO膜种子的热稳定性与熔体润湿性相关，通过富ba熔体或缓冲层等成分修饰优化界面能来提高种子性能。这些对定制润湿性的见解为优化REBCO晶体提供了实用指南，并为其他先进材料提供了可转移的原则。

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引用次数: 0

Applications of rapid joule heating in rechargeable batteries: Material synthesis, structural engineering, and performance enhancement 快速焦耳加热在可充电电池中的应用：材料合成、结构工程和性能增强

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2026-01-05 DOI: 10.1016/j.progsolidstchem.2026.100570

Xiaoxin Lv, Weidong Wang, Jiale Liu, Jiujun Deng

Rechargeable batteries are indispensable for diverse applications, yet their further development remains hindered by serious limitations. Rapid Joule heating (RJH), featured by ultrafast heating and cooling rates, extreme temperature, and non-equilibrium conditions, has recently emerged as a green and efficient strategy for battery material design. It enables the rapid synthesis of functional materials, including single atoms, metastable phases, nanocarbons, and metal-based compounds, while offering versatile structural engineering, such as crystallinity enhancement, defect/dopant incorporation, heterostructure construction, and interfacial optimization, effectively enhancing ion transport, reaction kinetics, and long-term stability. This review outlines the fundamental principles, structural regulations, and recent advances of RJH in rechargeable batteries, providing insights into the rational design of next-generation high-performance energy storage systems.

可充电电池在各种应用中是不可或缺的，但其进一步发展仍然受到严重限制的阻碍。快速焦耳加热（RJH）具有超快的加热和冷却速度、极端温度和非平衡条件，最近成为一种绿色高效的电池材料设计策略。它能够快速合成功能材料，包括单原子、亚稳相、纳米碳和金属基化合物，同时提供多功能结构工程，如结晶度增强、缺陷/掺杂、异质结构构建和界面优化，有效地增强离子传输、反应动力学和长期稳定性。本文概述了RJH在可充电电池中的基本原理、结构规则和最新进展，为下一代高性能储能系统的合理设计提供了见解。

引用次数: 0

Diamond-to-graphene by nickel-catalyzed solid-state transformation 镍催化固态相变制备金刚石-石墨烯

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2025-12-26 DOI: 10.1016/j.progsolidstchem.2025.100562

Xiaolu Yuan , Chunxia Chi , Feitong Ren , Jinlong Liu , Junjun Wei , Liangxian Chen , Jiangwei Liu , Wenrui Wang , Xiao Dong , Haitao Ye , Jincheng Tong , Chengming Li

The integration of graphene with diamond holds great promise for all-carbon materials, yet the precise mechanism governing graphene formation on diamond has remained unclear due to the lack of direct experimental evidence. Conventional preparation methods often rely on empirical annealing parameters. In this study, the catalytic transformation from diamond into graphene or graphite (nickel (Ni) as a catalyst) is investigated through in-situ heating transmission electron microscopy (TEM). We demonstrate that the transition proceeds via a metal-induced solid-state mechanism that is driven by Ni catalysis and reaction-diffusion between Ni and carbon (C) atoms at elevated temperatures. Key processes include Ni grain migration and C–Ni interdiffusion. The annealing duration significantly influences the location and number of graphene layers. Notably, prolonged annealing causes the development of graphene on the Ni surface, whereas rapid, short-term annealing results in the formation of graphene at the diamond/Ni interface. Extended high-temperature exposure increases the number of graphene layers, potentially facilitating graphite formation. Ab initio simulations reveal the polymerization pathway of carbon within the Ni(C) solid solution during graphene nucleation. These insights provide valuable guidance for designing application-specific graphene-on-diamond (GOD) structures, promoting the development of advanced carbon-based technologies.

石墨烯与金刚石的结合为全碳材料带来了巨大的希望，但由于缺乏直接的实验证据，石墨烯在金刚石上形成的精确机制仍不清楚。传统的制备方法往往依赖于经验退火参数。本研究通过原位加热透射电子显微镜（TEM）研究了从金刚石到石墨烯或石墨（镍（Ni）作为催化剂）的催化转化。我们证明了这种转变是通过金属诱导的固态机制进行的，该机制是由Ni催化和Ni与碳(C)原子在高温下的反应扩散驱动的。关键过程包括Ni晶粒迁移和C-Ni相互扩散。退火时间显著影响石墨烯层的位置和数量。值得注意的是，长时间的退火导致了Ni表面石墨烯的形成，而快速、短期的退火导致了金刚石/Ni界面石墨烯的形成。长时间的高温暴露增加了石墨烯层的数量，潜在地促进了石墨的形成。从头算模拟揭示了石墨烯成核过程中Ni(C)固溶体中碳的聚合途径。这些见解为设计特定应用的金刚石上石墨烯（GOD）结构提供了有价值的指导，促进了先进碳基技术的发展。

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引用次数: 0

Recent synthetic approaches for high-entropy polyelement nanoparticles 高熵多元纳米粒子的合成新方法

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2025-12-04 DOI: 10.1016/j.progsolidstchem.2025.100559

Wail Al Zoubi , Park Jaehyung , Mohammad R. Thalji , Chinho Park , Adnan Deep , Nokeun Park

High-entropy polyelement nanoparticles (HEPNs) exhibit unique behaviors distinct from those of the solid phases of individual elements. The disordered nature of multielement compounds introduces structural complexity and unprecedented compositional variations, necessitating a comprehensive understanding of stabilization enthalpy, entropy, and property optimization. HEPNs are particularly desirable when fabrication methods provide precise control comparable to that achieved conventional alloy design. Recent advancements in fabrication techniques have enabled greater control over the inherently disordered structures of HEPNs. This study explores emerging strategies for synthesizing HEPNs with tunable compositions, tailored atomic configurations, and enhanced catalytic activity achieved through the formation of novel active catalytic sites. It discusses fabrication pathways for different types of HEPNs, their stabilization mechanisms, and catalytic performance, providing insights into how of various synthesis approaches influence these properties. Collectively, these strategies enable the rational design and predictable controlled modulation of catalytic activity and atomic order within the disordered lattice, establishing a basis for enhanced applications.

高熵多元素纳米粒子（HEPNs）表现出不同于单个元素固相的独特行为。多元素化合物的无序性引入了结构复杂性和前所未有的组成变化，需要对稳定焓、熵和性能优化有全面的了解。当制造方法提供与传统合金设计相当的精确控制时，HEPNs尤其可取。最近制造技术的进步使得对hepn固有的无序结构有了更好的控制。本研究探索了通过形成新的活性催化位点来合成具有可调成分、定制原子构型和增强催化活性的HEPNs的新策略。它讨论了不同类型HEPNs的制备途径，它们的稳定机制和催化性能，提供了各种合成方法如何影响这些性能的见解。总的来说，这些策略使得在无序晶格内的催化活性和原子顺序的合理设计和可预测的控制调制成为可能，为增强应用奠定了基础。

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引用次数: 0

Site preference identification and crystal field analysis of high-efficient and thermal-stable NIR-I emission in NaAl11O17:Fe3+: experimental and DFT investigation NaAl11O17:Fe3+中高效热稳定NIR-I发射的位置优选与晶体场分析：实验与DFT研究

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2025-12-01 DOI: 10.1016/j.progsolidstchem.2025.100551

Chunli Li , Linyun Zeng , Irina I. Piyanzina , Ziyi Hong , Wenjia Xie , Peican Chen , Liya Zhou , Chunyan Zhou , Jialiang Pan , Wei Liu , Weitao Ren , Xinguo Zhang

Presently Fe³⁺-doped NIR phosphors exhibit immense potential for multiple applications. However, a more comprehensive understanding of Fe³⁺ site-occupancy and luminescent mechanism is urgently needed for enhancing material design and synthesis. In this work, a high-efficient NIR-I emitting Fe³⁺-doped NaAl₁₁O₁₇ phosphor was synthesized and systematically studied. A hybrid density functional theory (DFT) calculation was performed on geometric and electronic structures to study Fe³⁺ occupation preference and the corresponding optical properties. It is found that Fe³⁺ prefers to occupy AlO₄ sites with lower total energy compared with AlO₆ sites. Under 340 nm excitation, NaAl₁₁O₁₇: Fe³⁺ phosphors exhibited a high-efficient NIR emission of 600∼1000 nm peaking at ∼770 nm, with a high internal quantum efficiency of 78.12 %. Based on both theoretical and experimental results, the 3d energy-level diagram of Fe³⁺ in NaAl₁₁O₁₇ is constructed and discussed with crystal field strength analysis. The optimal NaAl₁₁O₁₇: Fe³⁺ phosphor shows good thermal stability while keeping 87 and 45 % of room-temperature intensity at 373 and 473 K. A NIR pc-LED was fabricated and demonstrates applications in nondestructive detection and angiography. This hybrid investigation on Fe³⁺-doped NaAl₁₁O₁₇ NIR-I phosphor could provide an insight for developing Fe³⁺-activated NIR luminescent materials with excellent performance and expanding their application prospects.

目前，Fe3+掺杂的近红外荧光粉具有广泛的应用前景。然而，为了提高材料的设计和合成水平，迫切需要更全面地了解Fe3+的占位和发光机理。本文合成了一种高效发射NIR-I的Fe3+掺杂NaAl11O17荧光粉，并对其进行了系统的研究。采用混合密度泛函理论（DFT）对几何结构和电子结构进行了计算，研究了Fe3+的占位偏好和相应的光学性质。结果表明，与AlO6位点相比，Fe3+更倾向于占据总能量较低的AlO4位点。在340 nm激发下，NaAl11O17: Fe3+荧光粉表现出600 ~ 1000 nm的高效近红外发射，在770 nm处达到峰值，具有78.12%的高内量子效率。基于理论和实验结果，构建了NaAl11O17中Fe3+的三维能级图，并用晶体场强分析对其进行了讨论。最优的NaAl11O17: Fe3+荧光粉在373和473 K时的热稳定性分别为室温强度的87%和45%。制作了一种近红外pc-LED，并展示了其在无损检测和血管造影中的应用。本文对Fe3+掺杂NaAl11O17 NIR- i荧光粉的杂化研究，为开发性能优异的Fe3+活化近红外发光材料和拓展其应用前景提供了新的思路。

{"title":"Site preference identification and crystal field analysis of high-efficient and thermal-stable NIR-I emission in NaAl11O17:Fe3+: experimental and DFT investigation","authors":"Chunli Li , Linyun Zeng , Irina I. Piyanzina , Ziyi Hong , Wenjia Xie , Peican Chen , Liya Zhou , Chunyan Zhou , Jialiang Pan , Wei Liu , Weitao Ren , Xinguo Zhang","doi":"10.1016/j.progsolidstchem.2025.100551","DOIUrl":"10.1016/j.progsolidstchem.2025.100551","url":null,"abstract":"<div><div>Presently Fe<sup>3+</sup>-doped NIR phosphors exhibit immense potential for multiple applications. However, a more comprehensive understanding of Fe<sup>3+</sup> site-occupancy and luminescent mechanism is urgently needed for enhancing material design and synthesis. In this work, a high-efficient NIR-I emitting Fe<sup>3+</sup>-doped NaAl<sub>11</sub>O<sub>17</sub> phosphor was synthesized and systematically studied. A hybrid density functional theory (DFT) calculation was performed on geometric and electronic structures to study Fe<sup>3+</sup> occupation preference and the corresponding optical properties. It is found that Fe<sup>3+</sup> prefers to occupy AlO<sub>4</sub> sites with lower total energy compared with AlO<sub>6</sub> sites. Under 340 nm excitation, NaAl<sub>11</sub>O<sub>17</sub>: Fe<sup>3+</sup> phosphors exhibited a high-efficient NIR emission of 600∼1000 nm peaking at ∼770 nm, with a high internal quantum efficiency of 78.12 %. Based on both theoretical and experimental results, the 3<em>d</em> energy-level diagram of Fe<sup>3+</sup> in NaAl<sub>11</sub>O<sub>17</sub> is constructed and discussed with crystal field strength analysis. The optimal NaAl<sub>11</sub>O<sub>17</sub>: Fe<sup>3+</sup> phosphor shows good thermal stability while keeping 87 and 45 % of room-temperature intensity at 373 and 473 K. A NIR pc-LED was fabricated and demonstrates applications in nondestructive detection and angiography. This hybrid investigation on Fe<sup>3+</sup>-doped NaAl<sub>11</sub>O<sub>17</sub> NIR-I phosphor could provide an insight for developing Fe<sup>3+</sup>-activated NIR luminescent materials with excellent performance and expanding their application prospects.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"80 ","pages":"Article 100551"},"PeriodicalIF":10.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Advances in solid-state lithium–sulfur batteries for next-generation energy storage 下一代储能用固态锂硫电池的研究进展

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2025-11-29 DOI: 10.1016/j.progsolidstchem.2025.100552

Vennila Selvaraj , Baeksang Yoon , Suresh Sagadevan , Byoenghun Oh , Sangwon Noh , Dong Ick Son , Hyung-Kee Seo , Inseok Seo

The increasing demand for high-performance energy storage has intensified the pursuit of alternatives to conventional lithium-ion batteries. Lithium-sulfur (Li–S) batteries has been extensively used due to their high theoretical energy density (2600 Wh kg⁻¹), low cost, and sulfur's environmental benefits. However, traditional Li–S systems face challenges including polysulfide shuttle effects, lithium dendrite formation, and limited cycle life. Incorporating solid-state electrolytes (SSEs) have enhanced the safety and stability by replacing flammable liquids. Recent progress in solid-state Li–S (SSLS) batteries includes development of high-conductivity SSEs (sulfide, halide, polymer-ceramic composites), electrodes provided with the volume changes and minimize interfacial resistance, and improved cathode architectures for optimized ion/electron transport. This review comprehensively analyzes the development in solid-state lithium-sulfur (SSLS) batteries over the past decade. SSLS development is driven by the potential for higher energy density and enhanced safety that have been essential for next-generation energy storage.This review also focuses on solid electrolytes as the key enabler for solid-state lithium-sulfur (SSLS) battery performance, addressing the challenges associated with liquid electrolytes such as flammability, polysulfide shuttle, and lithium dendrite formation. Finally, the review highlights the importance of integrated cell design, where optimized electrode architectures and advanced solid electrolytes work synergistically to maximize performance..

对高性能储能的需求日益增长，促使人们寻求替代传统锂离子电池的方法。锂硫（Li-S）电池因其理论能量密度高（2600 Wh kg−1）、成本低和硫的环境效益而得到广泛应用。然而，传统的Li-S系统面临着多硫化物穿梭效应、锂枝晶形成和有限的循环寿命等挑战。加入固态电解质（sse）取代易燃液体，提高了安全性和稳定性。固态Li-S （SSLS）电池的最新进展包括开发高导电性的ssi（硫化物、卤化物、聚合物-陶瓷复合材料），提供体积变化和最小化界面电阻的电极，以及改进阴极结构以优化离子/电子传输。本文综合分析了近十年来固态锂硫电池的发展情况。SSLS的发展受到更高能量密度和增强安全性的潜力的推动，这对下一代储能至关重要。本文还重点介绍了固体电解质作为固态锂硫（SSLS）电池性能的关键推动因素，解决了与液体电解质相关的挑战，如可燃性、多硫化物穿梭和锂枝晶形成。最后，综述强调了集成电池设计的重要性，其中优化的电极结构和先进的固体电解质协同工作以最大限度地提高性能。

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引用次数: 0

Pressure-induced stereochemistry and lone pair (E) localization in BiF3: Ellipsoidal EBi 6s2 / EF 2s2 volumes, perichoresis, and phase transitions 压力诱导的立体化学和孤对(E)定位在bi3：椭球状ebi6s2 / EF 2s2体积，包膜和相变

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2025-11-15 DOI: 10.1016/j.progsolidstchem.2025.100550

Samir F. Matar , Alicia Castro , Jean Galy

This original work investigates the high-pressure behavior of BiF₃ polymorphs, with emphasis on the stereochemical activity and spatial localization of the 6s² lone electron pair (E) of Bi³⁺and the 2 s² Es of fluoride anions. Using density functional theory (DFT) and electron localization function (ELF) analyses, we characterize the evolution of α-, β-, and γ-BiF₃E polymorphs and report two novel high-pressure phases, δ-BiF₃E and κ-BiF₃E, stabilized at approximately 70 GPa and above 200 GPa, respectively. The β-phase undergoes a clear phase transition near 70 GPa, where structural gliding of fluorine layers induces a symmetry shift from Pnma to Cmcm space group, corresponding to the δ-BiF₃E phase. The δ-phase features a base-centered orthorhombic framework with perichoretic localization of the Bi 6s² lone pair in multiple spatial positions. At pressures exceeding 200 GPa, a previously unobserved polymorph, κ-BiF₃E, emerges with a penta-capped triangular antiprismatic coordination environment and a distorted screw-axis symmetry.

In this paper “perichoresis” is introduced as an original conceptual tool to describe the simultaneous localization of lone pairs in multiple spatial domains without invoking electronic delocalization.

The results provide insight into the high-pressure stereochemistry of heavy p-block compounds and offer a predictive model for lone pair behavior under compression.

本文研究了Bi3多晶态的高压行为，重点研究了Bi3+的6s2孤电子对(E)和氟离子的2s2 Es的立体化学活性和空间定位。利用密度泛函理论（DFT）和电子定位函数（ELF）分析了α-、β-和γ-BiF3E多晶型的演化特征，并报道了两个新的高压相δ-BiF3E和κ-BiF3E，它们分别稳定在约70 GPa和200 GPa以上。在70 GPa附近，β-相发生了明显的相变，氟层的结构滑动导致从Pnma到Cmcm空间群的对称位移，对应于δ-BiF3E相。δ相以碱基为中心的正交骨架为特征，Bi 6s2孤对在多个空间位置呈鞘周定位。在超过200gpa的压力下，一种以前未观察到的多晶体κ-BiF3E出现，具有五盖三角形反棱镜配位环境和扭曲的螺旋轴对称。本文提出了一种新颖的概念工具，即“外包电泳”来描述在多个空间域中孤对的同时定位，而无需调用电子离域。该结果为重p-嵌段化合物的高压立体化学提供了新的见解，并为压缩下的孤对行为提供了预测模型。

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引用次数: 0

Capping stabilization mechanism of vanadate-stabilized δ-Bi2O3: Experimental and theoretical approaches 钒酸稳定δ-Bi2O3的旋盖稳定机理：实验与理论探讨

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2025-10-18 DOI: 10.1016/j.progsolidstchem.2025.100549

Zhe-Hao Lin , Yu-Chun Wu

引用次数: 0

Synthesis, structure and properties of substituted cobalt chalcogenides Co7(Se,Te)8 取代钴硫族化合物Co7(Se,Te)8的合成、结构与性质

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry

Pub Date : 2025-09-16 DOI: 10.1016/j.progsolidstchem.2025.100548

D.F. Akramov , N.V. Selezneva , E.M. Sherokalova , D.K. Kuznetsov , V.A. Kazantsev , N.V. Baranov

For the first time, polycrystalline samples of Co₇(Se_1–yTe_y)₈ were synthesized in the entire concentration range (0 ≤ y ≤ 1) and studied by X-ray diffraction, scanning electron microscopy, and by thermal expansion, specific heat capacity and electrical resistivity measurements. Depending on the concentration of tellurium, the solid-phase reaction method (at y < 0.9) and melting method (at y ≥ 0.9) were used to obtain single-phase samples. A change in the crystal structure (P3₁21 → P-3m1 → P6₃/mmc → P-3m1) due to the disordering of vacancies, significant anisotropy of the thermal atomic displacement, and anisotropic lattice expansion have been observed in this system when selenium is substituted with tellurium. According to specific heat measurements, an increase in tellurium concentration is accompanied by a decrease in the electronic specific heat coefficient, which indicates an increase in the metallicity of the system and is confirmed by electrical resistivity data. In substituted compounds using thermal expansion and temperature-dependent X-ray diffraction, spinodal decomposition of samples was detected upon heating. The second phase in dendritic form was observed using scanning electron microscopy on the surface of slowly cooled tellurium-rich sample.

首次合成了Co7(Se1-yTey)8在整个浓度范围（0≤y≤1）下的多晶样品，并通过x射线衍射、扫描电镜、热膨胀、比热容和电阻率测量对样品进行了研究。根据碲的浓度不同，分别采用固相反应法（y < 0.9）和熔融法（y≥0.9）获得单相样品。当硒被碲取代时，晶体结构发生了变化（P3121→P-3m1→P63/mmc→P-3m1），由于空位的无序性，热原子位移具有显著的各向异性，晶格扩展具有各向异性。根据比热测量，碲浓度的增加伴随着电子比热系数的降低，这表明体系的金属丰度增加，并得到电阻率数据的证实。在取代化合物中，使用热膨胀和温度相关的x射线衍射，在加热时检测到样品的spinodal分解。用扫描电镜观察慢冷富碲试样表面的第二相为枝晶。

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引用次数: 0