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Effect of ethanol solvent on the energy storage of imidazolium acetate ionic liquid supercapacitors 乙醇溶剂对醋酸咪唑离子液体超级电容器储能性能的影响
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-04 DOI: 10.1016/j.matchemphys.2025.130854
Guangmin Yang , Bao Chen , Jianyan Lin , Qiang Xu
{"title":"Effect of ethanol solvent on the energy storage of imidazolium acetate ionic liquid supercapacitors","authors":"Guangmin Yang ,&nbsp;Bao Chen ,&nbsp;Jianyan Lin ,&nbsp;Qiang Xu","doi":"10.1016/j.matchemphys.2025.130854","DOIUrl":"10.1016/j.matchemphys.2025.130854","url":null,"abstract":"<div><div>Supercapacitors are gaining more and more attention in the field of energy storage technology due to their superior power density. However, their development is limited by the low energy density. Ionic liquids (ILs) have wide electrochemical windows as electrolytes, which can effectively enhance the energy density of supercapacitors. However, the viscosity of ILs is generally large, which affects the power density of supercapacitors. Adding solvents is a simple and effective method to reduce the viscosity, which can effectively improve the dielectric constant and conductivity of ions. Here, we make an in-depth theoretical investigation of the IL-electrolyte systems by molecular dynamics simulations, with the cations of 1-ethyl-3-methylimidazole ([EMIM]<sup>+</sup>), 1,3-dimethylimidazolium ([MMIM]<sup>+</sup>), or 1- methylimidazolium ([MIM]<sup>+</sup>), and the acetate ion ([AC]<sup>-</sup>). Then, we use ethanol as the organic solvent to explore the effects of solvents. The conductivity and double layer capacitance of these three IL-systems with/without ethanol solvent were systematically calculated from the perspective of improving power and energy density. Among them, the [EMIM][AC] - ethanol system shows the best performance, with the conductivity of 194.9 mS/cm<sup>2</sup>. The maximum value of the double layer capacitance is enhanced from 5.4 μF/cm<sup>2</sup> (+1.5 V) to 6.1 μF/cm<sup>2</sup> (+1 V) with the addition of 35 % ethanol.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130854"},"PeriodicalIF":4.3,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143807137","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
First principles analysis of novel half Heusler alloys VPdZ (Z = Ge, Sn) for thermodynamic, spintronics and optoelectronic applications 新型半Heusler合金VPdZ (Z = Ge, Sn)的热力学、自旋电子学和光电子应用的第一性原理分析
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-03 DOI: 10.1016/j.matchemphys.2025.130770
Ashwani Kumar , Shyam Lal Gupta , Sumit Kumar , Anupam , Diwaker
{"title":"First principles analysis of novel half Heusler alloys VPdZ (Z = Ge, Sn) for thermodynamic, spintronics and optoelectronic applications","authors":"Ashwani Kumar ,&nbsp;Shyam Lal Gupta ,&nbsp;Sumit Kumar ,&nbsp;Anupam ,&nbsp;Diwaker","doi":"10.1016/j.matchemphys.2025.130770","DOIUrl":"10.1016/j.matchemphys.2025.130770","url":null,"abstract":"<div><div>In this study, we employ first principles methods based on density functional theory (DFT) to explore the structural stability, electronic, mechanical, optical, thermodynamic properties, and lattice dynamics of VPdZ (Z = Ge, Sn) half Heusler alloys. Our structural analysis indicates that these alloys are stable in a ferromagnetic phase and fall under the cubic space group number (216 F-43 m). The electronic band structure shows that both alloys exhibit half-metallic behavior, with indirect energy gaps of 0.651 eV for VPdGe and 0.462 eV for VPdSn in the spin-down channel. The calculated magnetic moments align well with the Slater Pauling rule. Mechanical properties, including Pugh’s ratio (B/G), suggest that VPdGe is ductile, while VPdSn is brittle. Among the VPdZ (Z = Ge, Sn) half Heusler alloys, VPdSn stands out for its excellent photon conductivity at low energy, making it a promising candidate for optoelectronic applications. Lattice dynamics studies confirm the dynamic stability of these materials, reinforcing their potential for future use in solid-state electronics and renewable energy technologies.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130770"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Utilization of high-magnesium ferronickel slag activated by wet grinding in MKPC under humid conditions 在潮湿条件下利用 MKPC 中通过湿法研磨活化的高镁镍铁渣
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-03 DOI: 10.1016/j.matchemphys.2025.130843
Yubo Li , Yuehu Wu , Xingyang He , Ying Su , Qifan Yang , Wei Chen , Zihao Jin
{"title":"Utilization of high-magnesium ferronickel slag activated by wet grinding in MKPC under humid conditions","authors":"Yubo Li ,&nbsp;Yuehu Wu ,&nbsp;Xingyang He ,&nbsp;Ying Su ,&nbsp;Qifan Yang ,&nbsp;Wei Chen ,&nbsp;Zihao Jin","doi":"10.1016/j.matchemphys.2025.130843","DOIUrl":"10.1016/j.matchemphys.2025.130843","url":null,"abstract":"<div><div>Magnesium phosphate cement (MPC) is competitive in engineering repair and reinforcement. Enhancing the activity of furnace ferronickel slag (EFS), as a substitution of MgO, is of great significance for mitigating the high carbon emissions and high cost of MPC. In present study, the technology of wet grinding was provided to tackle the issues of sluggish dissolution and limited activity of EFS. The properties of EFS-MKPC composites were systematically analyzed cured in humid condition, including three different fineness levels of EFS (D50 : 14.5 μm, 10.5 μm, 6.12 μm) and three varying contents of EFS (15 %, 30 %, 45 %). Heat of hydration, X-ray diffractometer (XRD), thermogravimetric analysis (TG), mercury intrusion porosimetry (MIP) and scanning electron microscopy (SEM) were used to explore the hydration reaction and microstructures changes. The results showed that wet grinding enhances the dissolution of magnesium and substantially improves the initial hydration activity of EFS. The 1 d compressive strength of EFS-MPC with 30 % and 45 % EFS reaches 119 % and 100 % of that of the control. The results of XRD and TG also proved that the hydration reaction of EFS is promoted and the effect is more significant with the extension of grinding duration. Meanwhile, the microstructures of EFS-MPC were optimized by incorporating fine EFS under humid conditions, which may be related to the activated silica from EFS. The findings suggested that wet grinding is an effective method that could enhance phase separation of EFS, which is a viable alternative for improving the utilization of EFS and water resistant of MPC.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130843"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Successfully achieved extrusion at a hybrid (SiCp-Cf)/AZ91 composite with a 50 % volume fraction 成功实现了体积分数为50%的SiCp-Cf /AZ91复合材料的挤压
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-03 DOI: 10.1016/j.matchemphys.2025.130842
Yufan Jiang , Kaibo Nie , Kunkun Deng , Quanxin Shi , Jinhai Zhang
{"title":"Successfully achieved extrusion at a hybrid (SiCp-Cf)/AZ91 composite with a 50 % volume fraction","authors":"Yufan Jiang ,&nbsp;Kaibo Nie ,&nbsp;Kunkun Deng ,&nbsp;Quanxin Shi ,&nbsp;Jinhai Zhang","doi":"10.1016/j.matchemphys.2025.130842","DOIUrl":"10.1016/j.matchemphys.2025.130842","url":null,"abstract":"<div><div>A hybrid (SiC<sub>p</sub>-C<sub>f</sub>)/AZ91 composite with a 50 vol% has been prepared by melt infiltration for the first time. Uniform distribution of SiC<sub>p</sub> and C<sub>f</sub> was observed in the as-cast composite. The thermal deformation behavior of the hybrid (SiC<sub>p</sub>-C<sub>f</sub>)/AZ91 composites with the high volume fraction was firstly studied based on the true flow stress-strain curve and the evolution of the thermal processing map. The increase in temperature and reduction in strain rate led to lower stress values on the true stress-strain curve. Furthermore, as the strain increased, the area of the instability zone in the thermal processing map gradually diminished, and the activation energy decreased. Calculations and simulations identified the workability region of the composite material as 680–773 K and 0.003 to 0.1 s<sup>−1</sup>. Based on these findings, hot extrusion of high volume fraction magnesium matrix composite was successfully initiated for the first time. During extrusion, fracture and directional alignment of C<sub>f</sub> along the extrusion path enhanced the flow of the matrix alloy AZ91 and SiC<sub>p</sub>, thereby facilitating deformation. Compared to the as-cast composite, the extruded composite exhibited reduced porosity and enhanced mechanical properties, with ultimate tensile strength and elastic modulus reaching 370 MPa and 157 GPa, respectively. Additionally, the thermal expansion coefficient of the extruded composite was approximately 50 % lower than that of the AZ91 alloy. The composites also demonstrated superior high-temperature thermal stability between 300 °C and 400 °C.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130842"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143807154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Efficient and stable dehydrogenation of ethylbenzene over vanadia supported on ultra-fine Al2O3 nanofibers with excellent physicochemical properties 具有优异理化性能的超细Al2O3纳米纤维负载乙苯在钒上高效稳定脱氢
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-03 DOI: 10.1016/j.matchemphys.2025.130818
Quanhua Wang , Yuhao Zong , Yanchao Liu , Haixia Hu , Yanwei Yue , Xingxing Xie , Lixing Guo , Qingyuan Hu , Hu Wang , Jinke Li , Jiajun Shi , Lichen Zhang , Jiajun Zheng , Shuwei Chen
{"title":"Efficient and stable dehydrogenation of ethylbenzene over vanadia supported on ultra-fine Al2O3 nanofibers with excellent physicochemical properties","authors":"Quanhua Wang ,&nbsp;Yuhao Zong ,&nbsp;Yanchao Liu ,&nbsp;Haixia Hu ,&nbsp;Yanwei Yue ,&nbsp;Xingxing Xie ,&nbsp;Lixing Guo ,&nbsp;Qingyuan Hu ,&nbsp;Hu Wang ,&nbsp;Jinke Li ,&nbsp;Jiajun Shi ,&nbsp;Lichen Zhang ,&nbsp;Jiajun Zheng ,&nbsp;Shuwei Chen","doi":"10.1016/j.matchemphys.2025.130818","DOIUrl":"10.1016/j.matchemphys.2025.130818","url":null,"abstract":"<div><div>The design and development of a highly efficient and stable catalyst for styrene (ST) obtained from ethylbenzene (EB) dehydrogenation reaction is urgently required because a commercial Fe–K-based catalyst often undergoes severe deactivation resulted from the active phase decomposition into inactive ferrite compound at high temperatures (&gt;600 °C). Herein, ultra-fine Al<sub>2</sub>O<sub>3</sub> nanofibers which are further self-assembled to form uniform rod-like morphology (R–Al<sub>2</sub>O<sub>3</sub>) were fabricated via a facile sol-gel strategy and further utilized as support to dispersing vanadium species (V/R–Al<sub>2</sub>O<sub>3</sub>). The physicochemical properties of the samples were systematically characterized by XRD, Raman, SEM, TEM, H<sub>2</sub>-TPR, CO<sub>2</sub>-TPD, XPS, and <sup>27</sup>Al MAS NMR techniques. It is found that except that R–Al<sub>2</sub>O<sub>3</sub> support has the merits of a high specific surface area, lager pore volume, and uniform mesopore structure, the presence of the unsaturated pentacoordinate Al<sup>3+</sup> ions plays a pivotal role in better dispersing V active species, with the existence of the isolate and/or polymeric forms. As compared to V/C–Al<sub>2</sub>O<sub>3</sub> (commercial Al<sub>2</sub>O<sub>3</sub> as support), the V/R–Al<sub>2</sub>O<sub>3</sub> catalyst endows outperformed catalytic performances for oxidative dehydrogenation of ethylbenzene in the presence of CO<sub>2</sub> (OEBDH-CO<sub>2</sub>). In which, the V/R–Al<sub>2</sub>O<sub>3</sub> catalyst gives a high EB catalytic activity and good stability without significant deactivation phenomenon being detected even after the third regeneration test. Such a result can be principally ascribed to that R–Al<sub>2</sub>O<sub>3</sub> support with excellent textural properties can better disperse V species so as to expose more active sites, which is beneficial for improving the conversion efficiency of EB. More importantly, keeping/regaining high valence state of V species in the V/R–Al<sub>2</sub>O<sub>3</sub> catalyst under CO<sub>2</sub> as a soft oxidant effectively promotes Mars-Van Krevelen redox cycle, further suppressing the catalyst deactivation. This work provides a rational design strategy for a high efficiency and stable dehydrogenation catalyst by optimizing the textural properties of Al<sub>2</sub>O<sub>3</sub> support and introducing the unsaturated pentacoordinate Al<sup>3+</sup> ions.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130818"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Controllable synthesis and characterization of In2O3 nanopowder in the NH4Ac-HCl buffer system NH4Ac-HCl缓冲体系中纳米In2O3粉体的可控合成与表征
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-03 DOI: 10.1016/j.matchemphys.2025.130813
Liang Sun, Yudong Yang, Yuhu Li, Menghui Liu, Yingzhe Wang
{"title":"Controllable synthesis and characterization of In2O3 nanopowder in the NH4Ac-HCl buffer system","authors":"Liang Sun,&nbsp;Yudong Yang,&nbsp;Yuhu Li,&nbsp;Menghui Liu,&nbsp;Yingzhe Wang","doi":"10.1016/j.matchemphys.2025.130813","DOIUrl":"10.1016/j.matchemphys.2025.130813","url":null,"abstract":"<div><div>In response to the severe agglomeration and poor dispersibility of indium oxide prepared by the chemical precipitation method, this study investigates the synthesis of In<sub>2</sub>O<sub>3</sub> within the NH<sub>4</sub>Ac-HCl buffer solution system. SEM, XRD, and other characterization techniques were employed to study the effects of buffer solution pH and feeding method on the morphology and particle size of the indium oxide powder, as well as to characterize their physical and chemical properties. The results indicated that the introduction of the NH<sub>4</sub>Ac-HCl buffer system into the reaction solution effectively inhibits nucleation and promotes the growth of crystal nuclei, thereby reducing particle agglomeration. By maintaining the buffer system's pH within a narrow range of 3.5–4.5, we achieved the synthesis of spherical indium oxide particles with an average diameter of 60 nm. These particles demonstrate high crystallinity and are devoid of agglomeration. Moreover, the buffer system alters the optical characteristics of In<sub>2</sub>O<sub>3</sub>, narrowing its direct band gap from 3.20 eV to 2.95 eV. Notably, In<sub>2</sub>O<sub>3</sub> synthesized at a pH of 4.5 exhibits the lowest intensity of photoluminescence (PL) emission peaks, suggesting a higher level of crystalline integrity and a lower incidence of defects. Photocatalytic degradation studies provide further validation of our findings. At a pH of 4.5 within the buffer system, the degradation rate of indium oxide for methylene blue (MB) is measured to be 55 ± 1 %, which is significantly lower than the degradation rate of 93 ± 1 % observed in the control system.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130813"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143821017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The role of oral microbiota in accelerating corrosion of Ti6Al4V: An electrochemical study 口腔微生物在加速Ti6Al4V腐蚀中的作用:电化学研究
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-02 DOI: 10.1016/j.matchemphys.2025.130836
Xudiyang Zhou , Ao Leng , Changpeng Li , Tianyi Tang , Jin Xu , Boxin Wei , Bokai Liao , Cheng Sun
{"title":"The role of oral microbiota in accelerating corrosion of Ti6Al4V: An electrochemical study","authors":"Xudiyang Zhou ,&nbsp;Ao Leng ,&nbsp;Changpeng Li ,&nbsp;Tianyi Tang ,&nbsp;Jin Xu ,&nbsp;Boxin Wei ,&nbsp;Bokai Liao ,&nbsp;Cheng Sun","doi":"10.1016/j.matchemphys.2025.130836","DOIUrl":"10.1016/j.matchemphys.2025.130836","url":null,"abstract":"<div><div>This study examines the effect of oral microflora on the corrosion behavior of Ti6Al4V alloy in an aerobic environment. Electrochemical tests reveal that microbial activity significantly accelerates corrosion, increasing the corrosion current density from 4.8 nA/cm<sup>2</sup> under sterile conditions to 11.6 nA/cm<sup>2</sup>. Fluorescence imaging confirms non-uniform biofilm formation, which creates localized microenvironments that promote pitting. Acid-producing bacteria, such as <em>Streptococcus mutans</em>, lower the pH of artificial saliva to approximately 6.5, enhancing metal dissolution. Scanning electron microscopy (SEM) further reveals pronounced pitting corrosion in microbial-inoculated samples. These findings underscore the need for advanced surface treatments and protective strategies to enhance the corrosion resistance of Ti6Al4V alloys in biomedical applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130836"},"PeriodicalIF":4.3,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Microwave-assisted synthesis of Nb2AlC MAX phase from aluminum-Nb2O5-carbon precursors 微波辅助铝- nb2o5 -碳前驱体合成Nb2AlC MAX相
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-02 DOI: 10.1016/j.matchemphys.2025.130838
Zahra Jahandideh , Ehsan Ghasali , Touradj Ebadzadeh , Seyed Mohammad Mirkazemi
{"title":"Microwave-assisted synthesis of Nb2AlC MAX phase from aluminum-Nb2O5-carbon precursors","authors":"Zahra Jahandideh ,&nbsp;Ehsan Ghasali ,&nbsp;Touradj Ebadzadeh ,&nbsp;Seyed Mohammad Mirkazemi","doi":"10.1016/j.matchemphys.2025.130838","DOIUrl":"10.1016/j.matchemphys.2025.130838","url":null,"abstract":"<div><div>In this work, the microwave synthesis of the Nb<sub>2</sub>AlC MAX phase was undertaken using Nb<sub>2</sub>O<sub>5</sub>, Al, and C precursors. MAX phases constitute a novel family of ceramic-metallic compounds with a unique layered structure, exhibiting a combination of ceramic and metallic properties. The synthesis was carried out at a temperature of 1200 °C with a 2-h dwell time at the maximum temperature. Comprehensive structural and microstructural characterization employing X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS) and High-resolution transmission electron microscopy (HRTEM) techniques unambiguously confirmed the successful synthesis of the Nb<sub>2</sub>AlC MAX phase with the desired crystallographic structure. The findings highlight the efficacy of the microwave synthesis approach for the fabrication of the Nb<sub>2</sub>AlC MAX phase and elucidate the profound impact of temperature and dwell time on the synthesis process and the resultant product characteristics. This work represents a significant advancement in the optimization of MAX phase synthesis via the microwave route, emphasizing the critical influence of synthesis parameters on the production of advanced materials with tailored properties.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130838"},"PeriodicalIF":4.3,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800317","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
XANES-EXAFS spectroscopy for discerning and retrieval of atomic and coordination states of a diverse single-metal-atomic structures XANES-EXAFS光谱用于识别和检索不同单金属原子结构的原子和配位态
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-02 DOI: 10.1016/j.matchemphys.2025.130837
Anubha Yadav, Tapan Dey, Twinkle Joshi, Saikat Dutta
{"title":"XANES-EXAFS spectroscopy for discerning and retrieval of atomic and coordination states of a diverse single-metal-atomic structures","authors":"Anubha Yadav,&nbsp;Tapan Dey,&nbsp;Twinkle Joshi,&nbsp;Saikat Dutta","doi":"10.1016/j.matchemphys.2025.130837","DOIUrl":"10.1016/j.matchemphys.2025.130837","url":null,"abstract":"<div><div>Due to the outstanding accomplishments of single-metal-atom electrocatalysts in the context of nanomaterials for a broad spectrum of electrochemical energy conversions, there is a pressing need to further advance the X-ray absorption spectroscopic determination discerning and analysing tool for the purpose of confirming the coordination structure of a wide-range of single-metal-atomic materials. This range includes isolated/correlated single-metal-atom, single-metal-atom alloy, dual-metal single-atom, single-atom dimer, nano-single-atom, and interfacial single-atomic heterostructures. XANES-EXAFS spectra elucidate the exact electronic and geometric configuration of central metal by a combined package of FT-EXAFS spectra and WT-contour-EXAFS fitting. XANES-EXAFS spectroscopic determination of electronic and atomic structure also illustrates the significance of synchrotron X-ray spectroscopic techniques in classifying the electrochemical activity patterns of varied types of single-metal-atom electrode materials. This article addresses a range of questions such as: nature of EXAFS spectral peaks linked to varied coordination structure/environment around central metal-atoms including isolated/correlated single-metal-atom, single-metal-atom alloy, dual-metal single-atom, single-atom dimer, nano-single-atom, interfacial single-atomic heterostructuresand link between electrochemical performance trend and discerning coordination environment of central metal-atom of above single-atomic materials. Finally, the capability of XANES-EXAFS spectra is addressed for distinguishing the coordination and electronic environment of a wide-range single-atom systems including vivid electrochemical features linked to their coordination structure to take on future grand challenges. Moreover, while insightfully discussing distinct features of a broad range of single-metal-atom systems, maximum atom utilization, enhanced density of atoms, nano-confinement effects were linked with XANES-EXAFS spectral features which pave the way for future directions. Many review articles have focused on the engineering of atomically dispersed single atoms and their derivatives (such as single-atom-dimer, single-atom-alloy, etc) but methods of data extraction, their analysis protocols and revealing electronic structures are still unaddressed. In this review article we have elucidated principles of XAS and XAFS techniques, which are the core in identifying atomically dispersed single atoms. This article provides a base knowledge to the readers about soft and hard X-ray techniques, and which can be effective based on the material designing. This also provides a brief description of core shell electronic transitions which are very crucial in identifying the electronic states as well as coordination environments across the metal active center.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"340 ","pages":"Article 130837"},"PeriodicalIF":4.3,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Antibacterial TiO2 nanoparticles and hydroxyapatite loaded carboxymethyl cellulose bio-nanocomposite scaffold for wound dressing application 抗菌纳米TiO2和羟基磷灰石负载羧甲基纤维素生物纳米复合材料支架在伤口敷料中的应用
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-02 DOI: 10.1016/j.matchemphys.2025.130835
Qiong Wang , Mahani Yusoff , Nur Ain Atisya C.M. Khairuddin , Nur Adibah Roslan , Mohd Hasmizam Razali
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