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Impact of pH variation and radical scavenger on photocatalytic dye degradation of Rhodamine B dye using LaAlO3/ZnO nanocomposites synthesize by sol gel method
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-07 DOI: 10.1016/j.matchemphys.2025.130500
Kamlesh Jangra , Anjli Sharma , Anisha Bhardwaj , Sapana Garg , Rajesh Punia , Sajjan Dahiya
A series of LAZO(LaAlO3/ZnO) nanocomposites with varying ZnO contents (1:1,1:3,1:5, and 1:7) have been effectively prepared using the Pechini sol-gel method. Structural analyses have been conducted using XRD and Rietveld refinement. The irregular shapes with porous morphology of nanocomposites captured by the FESEM and HRTEM studies and the presence of Zn, La, Al, and O elements have been confirmed by EDX spectroscopy. DRS technique corroborated bandgap values that lie in the range of 6.09–2.93 eV, while PL studies confirm a suppressed charge carrier recombination with increased concentrations of ZnO in the nanocomposite. The negative surface potential has been assessed by the Zeta analyzer, which indicates its suitability for the degradation of cationic dyes such as Rhodamine-B (RhB). The photocatalytic activity of LAZO nanocomposites in degrading RhB dye is significantly higher than that of pure ZnO and LAO under UV irradiation. Among the samples, LAZO (1:5) has the highest efficiency (∼97 %) in degrading RhB dye within 100 min. The effect of pH on the reaction medium and the role of reactive oxygen species were also examined. In the neutral medium, almost complete degradation of dye is achieved in 100 min. Radical trap experiments reveal that holes are the main oxidative species part in the degradation of RhB dye. The adsorption kinetic are best described by Pseudo second order kinetic model. Type I heterojunction charge transfer mechanism well explains the degradation pathway of RhB dye. The development of nanocomposite photocatalysts that facilitate efficient charge transfer mechanisms is a promising strategy for improving photocatalytic activity and removing organic contaminants from water sources.
{"title":"Impact of pH variation and radical scavenger on photocatalytic dye degradation of Rhodamine B dye using LaAlO3/ZnO nanocomposites synthesize by sol gel method","authors":"Kamlesh Jangra ,&nbsp;Anjli Sharma ,&nbsp;Anisha Bhardwaj ,&nbsp;Sapana Garg ,&nbsp;Rajesh Punia ,&nbsp;Sajjan Dahiya","doi":"10.1016/j.matchemphys.2025.130500","DOIUrl":"10.1016/j.matchemphys.2025.130500","url":null,"abstract":"<div><div>A series of LAZO(LaAlO<sub>3</sub>/ZnO) nanocomposites with varying ZnO contents (1:1,1:3,1:5, and 1:7) have been effectively prepared using the Pechini sol-gel method. Structural analyses have been conducted using XRD and Rietveld refinement. The irregular shapes with porous morphology of nanocomposites captured by the FESEM and HRTEM studies and the presence of Zn, La, Al, and O elements have been confirmed by EDX spectroscopy. DRS technique corroborated bandgap values that lie in the range of 6.09–2.93 eV, while PL studies confirm a suppressed charge carrier recombination with increased concentrations of ZnO in the nanocomposite. The negative surface potential has been assessed by the Zeta analyzer, which indicates its suitability for the degradation of cationic dyes such as Rhodamine-B (RhB). The photocatalytic activity of LAZO nanocomposites in degrading RhB dye is significantly higher than that of pure ZnO and LAO under UV irradiation. Among the samples, LAZO (1:5) has the highest efficiency (∼97 %) in degrading RhB dye within 100 min. The effect of pH on the reaction medium and the role of reactive oxygen species were also examined. In the neutral medium, almost complete degradation of dye is achieved in 100 min. Radical trap experiments reveal that holes are the main oxidative species part in the degradation of RhB dye. The adsorption kinetic are best described by Pseudo second order kinetic model. Type I heterojunction charge transfer mechanism well explains the degradation pathway of RhB dye. The development of nanocomposite photocatalysts that facilitate efficient charge transfer mechanisms is a promising strategy for improving photocatalytic activity and removing organic contaminants from water sources.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130500"},"PeriodicalIF":4.3,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143293585","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 static magnetic properties of composites with orientational anisotropy: Experiment, theory and computer simulation
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-06 DOI: 10.1016/j.matchemphys.2025.130469
Dmitry I. Radushnov , Andrey V. Chernyshov , Anna Yu. Solovyova , Stanislav A. Kunikin , Arthur R. Zakinyan , Ekaterina A. Elfimova
The properties and behavior of composite materials based on superparamagnetic nanoparticles with an ordered orientational structure of magnetic anisotropy axes are of scientific and applied interest. At present, there is no clear picture of the physical properties of such materials. This paper presents a comprehensive study of the problems of the formation and properties of magneto-textured materials. The study provides a comparative analysis of the obtained empirical material with computer simulation data and results from a developed theoretical model. In particular, the dependence of the composite material’s static magnetic properties on the values of the magnetic field in which the sample was hardened and the measuring magnetic field, as well as on the angle between the directions of these fields, is demonstrated. The correlation of these material properties with the microstructural state, specifically with the orientational distribution of the magnetic anisotropy axes of the nanoparticles, is shown. The material’s equilibrium orientational texture as a function of its preparation conditions is described. The role of different size fractions of nanoparticles and their contribution to the resulting material behavior is demonstrated. The results of the study make it possible to form a complete picture of the phenomena under consideration, as well as to determine the optimal synthesis conditions and to predict the ways of obtaining magneto-textured materials with desired properties.
{"title":"The static magnetic properties of composites with orientational anisotropy: Experiment, theory and computer simulation","authors":"Dmitry I. Radushnov ,&nbsp;Andrey V. Chernyshov ,&nbsp;Anna Yu. Solovyova ,&nbsp;Stanislav A. Kunikin ,&nbsp;Arthur R. Zakinyan ,&nbsp;Ekaterina A. Elfimova","doi":"10.1016/j.matchemphys.2025.130469","DOIUrl":"10.1016/j.matchemphys.2025.130469","url":null,"abstract":"<div><div>The properties and behavior of composite materials based on superparamagnetic nanoparticles with an ordered orientational structure of magnetic anisotropy axes are of scientific and applied interest. At present, there is no clear picture of the physical properties of such materials. This paper presents a comprehensive study of the problems of the formation and properties of magneto-textured materials. The study provides a comparative analysis of the obtained empirical material with computer simulation data and results from a developed theoretical model. In particular, the dependence of the composite material’s static magnetic properties on the values of the magnetic field in which the sample was hardened and the measuring magnetic field, as well as on the angle between the directions of these fields, is demonstrated. The correlation of these material properties with the microstructural state, specifically with the orientational distribution of the magnetic anisotropy axes of the nanoparticles, is shown. The material’s equilibrium orientational texture as a function of its preparation conditions is described. The role of different size fractions of nanoparticles and their contribution to the resulting material behavior is demonstrated. The results of the study make it possible to form a complete picture of the phenomena under consideration, as well as to determine the optimal synthesis conditions and to predict the ways of obtaining magneto-textured materials with desired properties.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130469"},"PeriodicalIF":4.3,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372410","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
Two novel Ti–Mo–Ta–Zr alloys for medical devices: Their microstructure, corrosion resistance and microhardness characteristics
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-06 DOI: 10.1016/j.matchemphys.2025.130511
Cristina Jiménez-Marcos , Julia Claudia Mirza-Rosca , Madalina Simona Baltatu , Petrica Vizureanu
Titanium alloys have gained a solid reputation in the field of biomedicine due to their exceptional biocompatibility. However, it is important to note that some of these alloys do release toxic ions, which could potentially limit their application in sensitive scenarios. This study examines two new titanium alloys, TixMo15Ta7Zr (x = 15, 20 wt%) and it designed these alloys to overcome certain challenges by including helpful elements like molybdenum (Mo), tantalum (Ta) and zirconium (Zr). Advanced metallography, scanning electron microscopy, X-ray diffraction, microhardness measurements and electrochemical testing conclusively showed that the importantly elevated Mo content substantially improves corrosion resistance (with a corrosion rate value of 0.64 μm year−1) by promoting the formation of an importantly more flexible passive layer, while simultaneously maintaining mechanical properties closely comparable to those of conventional titanium biomaterials possessing Vickers hardness values around 350 HV. These findings show that an important number of these alloys represent a revolutionary, promising solution for biomedical implants that are safer as well as more durable.
{"title":"Two novel Ti–Mo–Ta–Zr alloys for medical devices: Their microstructure, corrosion resistance and microhardness characteristics","authors":"Cristina Jiménez-Marcos ,&nbsp;Julia Claudia Mirza-Rosca ,&nbsp;Madalina Simona Baltatu ,&nbsp;Petrica Vizureanu","doi":"10.1016/j.matchemphys.2025.130511","DOIUrl":"10.1016/j.matchemphys.2025.130511","url":null,"abstract":"<div><div>Titanium alloys have gained a solid reputation in the field of biomedicine due to their exceptional biocompatibility. However, it is important to note that some of these alloys do release toxic ions, which could potentially limit their application in sensitive scenarios. This study examines two new titanium alloys, TixMo15Ta7Zr (x = 15, 20 wt%) and it designed these alloys to overcome certain challenges by including helpful elements like molybdenum (Mo), tantalum (Ta) and zirconium (Zr). Advanced metallography, scanning electron microscopy, X-ray diffraction, microhardness measurements and electrochemical testing conclusively showed that the importantly elevated Mo content substantially improves corrosion resistance (with a corrosion rate value of 0.64 μm year<sup>−1</sup>) by promoting the formation of an importantly more flexible passive layer, while simultaneously maintaining mechanical properties closely comparable to those of conventional titanium biomaterials possessing Vickers hardness values around 350 HV. These findings show that an important number of these alloys represent a revolutionary, promising solution for biomedical implants that are safer as well as more durable.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130511"},"PeriodicalIF":4.3,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372409","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparison of different reducing agents for the synthesis of mayenite electride C12A7:2e− and a new photometric method to determine its electron density
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-06 DOI: 10.1016/j.matchemphys.2025.130513
Nils L. Kotschote, Stefan G. Ebbinghaus
Discovered in 2003 the mayenite electride (Ca12Al14O33–x(2e)x) is the first electride being stable under ambient conditions. Different reaction conditions are known to result in samples with strongly deviating electron contents x. Various methods for determining x have been applied but have individual disadvantages. Therefore, a new alternative approach based on the reduction of dichromate and its photometric quantification is introduced and evaluated in this paper. For this, mayenite oxide was synthesised via classical solid-state synthesis and afterwards reduced by heating pellets embedded in the respective reducing agents under dynamic vacuum. Using carbon, titanium and zirconium as oxygen getters, different degrees of reduction were achieved. The electron densities of the obtained electrides were determined using iodometric titration, conductivity measurements and the new dichromate based photometry. Our results show that the latter method is feasible, robust and leads to well-reproducible, reliable values.
{"title":"Comparison of different reducing agents for the synthesis of mayenite electride C12A7:2e− and a new photometric method to determine its electron density","authors":"Nils L. Kotschote,&nbsp;Stefan G. Ebbinghaus","doi":"10.1016/j.matchemphys.2025.130513","DOIUrl":"10.1016/j.matchemphys.2025.130513","url":null,"abstract":"<div><div>Discovered in 2003 the mayenite electride (Ca<sub>12</sub>Al<sub>14</sub>O<sub>33–x</sub>(2e<sup>–</sup>)<sub>x</sub>) is the first electride being stable under ambient conditions. Different reaction conditions are known to result in samples with strongly deviating electron contents x. Various methods for determining x have been applied but have individual disadvantages. Therefore, a new alternative approach based on the reduction of dichromate and its photometric quantification is introduced and evaluated in this paper. For this, mayenite oxide was synthesised via classical solid-state synthesis and afterwards reduced by heating pellets embedded in the respective reducing agents under dynamic vacuum. Using carbon, titanium and zirconium as oxygen getters, different degrees of reduction were achieved. The electron densities of the obtained electrides were determined using iodometric titration, conductivity measurements and the new dichromate based photometry. Our results show that the latter method is feasible, robust and leads to well-reproducible, reliable values.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130513"},"PeriodicalIF":4.3,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Compressibility behavior of NixB: Experiment and computation
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-06 DOI: 10.1016/j.matchemphys.2025.130514
P. Anand Kumar , N.R. Sanjay Kumar , Gurpreet Kaur , N.V. Chandra Shekar
High pressure structural stability studies are performed on Ni3B and NiB wherein the orthorhombic structure adopted at ambient is stable up to 48 GPa and 44 GPa, respectively. The DFT based first-principles calculations are performed using VASP to understand the structure-property correlation of NixB (x: 1, 2, and 3). The bulk modulus obtained from HPXRD experiments is 226 ± 5 GPa and 267 ± 10 GPa for Ni3B and NiB, respectively, which are in excellent agreement with the computed value. The elastic moduli gradually rise with the addition of B into the metal lattice. Bader charge analysis shows a transfer of charge from Ni to B, which is utilized to strengthen B–B bonds. These borides are expected to be metallic with a finite number of states at Ef, and the metallicity decreases with B addition.
{"title":"Compressibility behavior of NixB: Experiment and computation","authors":"P. Anand Kumar ,&nbsp;N.R. Sanjay Kumar ,&nbsp;Gurpreet Kaur ,&nbsp;N.V. Chandra Shekar","doi":"10.1016/j.matchemphys.2025.130514","DOIUrl":"10.1016/j.matchemphys.2025.130514","url":null,"abstract":"<div><div>High pressure structural stability studies are performed on Ni<sub>3</sub>B and NiB wherein the orthorhombic structure adopted at ambient is stable up to 48 GPa and 44 GPa, respectively. The DFT based first-principles calculations are performed using VASP to understand the structure-property correlation of Ni<sub>x</sub>B (x: 1, 2, and 3). The bulk modulus obtained from HPXRD experiments is 226 ± 5 GPa and 267 ± 10 GPa for Ni<sub>3</sub>B and NiB, respectively, which are in excellent agreement with the computed value. The elastic moduli gradually rise with the addition of B into the metal lattice. Bader charge analysis shows a transfer of charge from Ni to B, which is utilized to strengthen B–B bonds. These borides are expected to be metallic with a finite number of states at E<sub>f,</sub> and the metallicity decreases with B addition.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130514"},"PeriodicalIF":4.3,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143403440","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 of core-shell SiO2@CeO2 composite abrasives for chemical mechanical polishing of EMC-Si-Cu multi-heterointerfaces
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-05 DOI: 10.1016/j.matchemphys.2025.130509
Jiale Zhang , Xiaohu Qu , Jianhang Yin , Ning Wang
With the development of advanced electronic packaging, a big challenge for the chemical mechanical polishing (CMP) is to achieve the global planarization of EMC (epoxy molding compound)-Si-Cu materials with the normal ceramic abrasives. In this paper, the SiO2@CeO2 core-shell composite abrasive is developed for the CMP of EMC/Si/Cu materials for the first time, and a global planarization with low removal selectivity is expected owing to the synergistic effect of the core-shell abrasives. Two sol-gel synthetic strategies, i.e., oil bath and ultrasonication, are proposed for the controllable synthesis of the SiO2@CeO2 abrasives, which exhibit a good dispersive stability with a large absolute zeta potential >30 mV. The slurry for the CMP of EMC-Si-Cu based on the SiO2@CeO2 abrasives shows the advantage in controlling the surface roughness, material removal rate and the removal selectivity. Especially, the ultrasonic SiO2@CeO2 abrasives give rise to the low surface roughness (Cu 2 nm, Si 0.3 nm, EMC 10 nm) and the low removal selectivity (Cu/EMC/Si = 1.58:1.56:1.00). Therefore, the proposed SiO2@CeO2 core-shell abrasives and the developed CMP slurry opens an alternative way for the planarization of EMC/Si/Cu materials in the advanced electronic packaging.
{"title":"Controllable synthesis of core-shell SiO2@CeO2 composite abrasives for chemical mechanical polishing of EMC-Si-Cu multi-heterointerfaces","authors":"Jiale Zhang ,&nbsp;Xiaohu Qu ,&nbsp;Jianhang Yin ,&nbsp;Ning Wang","doi":"10.1016/j.matchemphys.2025.130509","DOIUrl":"10.1016/j.matchemphys.2025.130509","url":null,"abstract":"<div><div>With the development of advanced electronic packaging, a big challenge for the chemical mechanical polishing (CMP) is to achieve the global planarization of EMC (epoxy molding compound)-<em>Si</em>-Cu materials with the normal ceramic abrasives. In this paper, the SiO<sub>2</sub>@CeO<sub>2</sub> core-shell composite abrasive is developed for the CMP of EMC/Si/Cu materials for the first time, and a global planarization with low removal selectivity is expected owing to the synergistic effect of the core-shell abrasives. Two sol-gel synthetic strategies, i.e., oil bath and ultrasonication, are proposed for the controllable synthesis of the SiO<sub>2</sub>@CeO<sub>2</sub> abrasives, which exhibit a good dispersive stability with a large absolute zeta potential &gt;30 mV. The slurry for the CMP of EMC-Si-Cu based on the SiO<sub>2</sub>@CeO<sub>2</sub> abrasives shows the advantage in controlling the surface roughness, material removal rate and the removal selectivity. Especially, the ultrasonic SiO<sub>2</sub>@CeO<sub>2</sub> abrasives give rise to the low surface roughness (Cu 2 nm, Si 0.3 nm, EMC 10 nm) and the low removal selectivity (Cu/EMC/Si = 1.58:1.56:1.00). Therefore, the proposed SiO<sub>2</sub>@CeO<sub>2</sub> core-shell abrasives and the developed CMP slurry opens an alternative way for the planarization of EMC/Si/Cu materials in the advanced electronic packaging.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130509"},"PeriodicalIF":4.3,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377048","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
Luminescence and structural insights of β-Ca2SiO4:Pr3+ Phosphor: Applications towards TL dosimetry and solid state lighting
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-05 DOI: 10.1016/j.matchemphys.2025.130508
T.N. Megharaj , B.R. Radha Krushna , I.S. Pruthviraj , S.C. Sharma , K. Manjunatha , Sheng Yun Wu , R. Arunakumar , F. Femila Komahal , G. Ramakrishna , H. Nagabhushana
Trivalent praseodymium (Pr³⁺) doped β-Ca₂SiO₄ (β-CSO:Pr³⁺) phosphors are successfully synthesized via the conventional solid-state reaction method. This sustainable approach utilized SiO₂ extracted from sugarcane bagasse and CaO derived from eggshells (ES). The thermoluminescence (TL) properties of un-doped and β-CSO:Pr³⁺ phosphors are evaluated under γ-irradiation doses ranging from 0.01 Gy to 5 kGy. The TL glow curves of β-CSO:3Pr³⁺ phosphors exhibited prominent peaks at 400 K and 550 K. Activation energy values, determined using CGCD and Chen's peak methods, ranged from 0.5 to 2.5 eV. The incorporation of Pr³⁺ ions introduced deeper traps and significantly enhanced the material's thermal stability. TL reusability measurements showed a standard deviation of less than 5 %, demonstrating consistent and reliable performance over multiple cycles. Deconvolution of the TL glow curves identified six distinct peaks in the un-doped sample, while the Pr³⁺ doped sample displayed a more intricate trap structure with four peaks, indicating the introduction of new or modified trapping sites due to Pr³⁺ doping. The Figure of Merit (FOM) values derived from the deconvolution analysis are all below 1.58 %, signifying an excellent fit between the observed and modelled TL signals. These findings establish β-CSO:3Pr³⁺ phosphors as robust candidates for radiation dosimetry, offering enhanced sensitivity, stability, and adaptability across various dosimetric applications. The excitation spectrum included a host-related excitation band (200–300 nm) and f-f transition bands of Pr³⁺ (440–500 nm), both of which align with commercially available blue-emitting LED chips. Upon excitation with UV (∼247 nm) and blue light (∼457 nm), the phosphors emitted red light primarily from the ³P₀ state of Pr³⁺ ions, with the dominant transition being ³P₀→³F₂ (∼653 nm). The optimal concentration of Pr³⁺ is determined to be 3 mol%, beyond which concentration quenching occurred due to d-d interactions. Furthermore, the β-CSO:3Pr³⁺ phosphors exhibited a color purity of 88.1 %, an internal quantum efficiency (IQE) of 92.51 %, a high color rendering index (CRI) of 91, and a correlated color temperature (CCT) of 5162 K. These results highlight the promising potential of the synthesized nanorods for use in TL dosimetry and solid-state lighting applications.
{"title":"Luminescence and structural insights of β-Ca2SiO4:Pr3+ Phosphor: Applications towards TL dosimetry and solid state lighting","authors":"T.N. Megharaj ,&nbsp;B.R. Radha Krushna ,&nbsp;I.S. Pruthviraj ,&nbsp;S.C. Sharma ,&nbsp;K. Manjunatha ,&nbsp;Sheng Yun Wu ,&nbsp;R. Arunakumar ,&nbsp;F. Femila Komahal ,&nbsp;G. Ramakrishna ,&nbsp;H. Nagabhushana","doi":"10.1016/j.matchemphys.2025.130508","DOIUrl":"10.1016/j.matchemphys.2025.130508","url":null,"abstract":"<div><div>Trivalent praseodymium (Pr³⁺) doped β-Ca₂SiO₄ (β-CSO:Pr³⁺) phosphors are successfully synthesized via the conventional solid-state reaction method. This sustainable approach utilized SiO₂ extracted from sugarcane bagasse and CaO derived from eggshells (ES). The thermoluminescence (TL) properties of un-doped and β-CSO:Pr³⁺ phosphors are evaluated under γ-irradiation doses ranging from 0.01 Gy to 5 kGy. The TL glow curves of β-CSO:3Pr³⁺ phosphors exhibited prominent peaks at 400 K and 550 K. Activation energy values, determined using CGCD and Chen's peak methods, ranged from 0.5 to 2.5 eV. The incorporation of Pr³⁺ ions introduced deeper traps and significantly enhanced the material's thermal stability. TL reusability measurements showed a standard deviation of less than 5 %, demonstrating consistent and reliable performance over multiple cycles. Deconvolution of the TL glow curves identified six distinct peaks in the un-doped sample, while the Pr³⁺ doped sample displayed a more intricate trap structure with four peaks, indicating the introduction of new or modified trapping sites due to Pr³⁺ doping. The Figure of Merit (FOM) values derived from the deconvolution analysis are all below 1.58 %, signifying an excellent fit between the observed and modelled TL signals. These findings establish β-CSO:3Pr³⁺ phosphors as robust candidates for radiation dosimetry, offering enhanced sensitivity, stability, and adaptability across various dosimetric applications. The excitation spectrum included a host-related excitation band (200–300 nm) and <em>f-f</em> transition bands of Pr³⁺ (440–500 nm), both of which align with commercially available blue-emitting LED chips. Upon excitation with UV (∼247 nm) and blue light (∼457 nm), the phosphors emitted red light primarily from the ³P₀ state of Pr³⁺ ions, with the dominant transition being <em>³P₀→³F₂</em> (∼653 nm). The optimal concentration of Pr³⁺ is determined to be 3 mol%, beyond which concentration quenching occurred due to <em>d-d</em> interactions. Furthermore, the β-CSO:3Pr³⁺ phosphors exhibited a color purity of 88.1 %, an internal quantum efficiency (<em>I</em><sub><em>QE</em></sub>) of 92.51 %, a high color rendering index (CRI) of 91, and a correlated color temperature (CCT) of 5162 K. These results highlight the promising potential of the synthesized nanorods for use in TL dosimetry and solid-state lighting applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130508"},"PeriodicalIF":4.3,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377013","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
To study the impact of La and Mo coexistence in pure Nb2O5 nanostructure for the improvement of photocatalytic hydrogen production and verification by theoretical analysis
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-04 DOI: 10.1016/j.matchemphys.2025.130497
Muhammad Tanveer , Safeera Yasmeen , Ahmad Ruhan Ali , M.A. Qadeer , Ghulam Nabi , Muhammad Tahir , Husnain Haider Cheema , Thamraa Alshahrani , Mohammed Asiri
The present study conducted the synthesis of pure (Nb2O5) and a series of La–Mo co-doped Nb2O5 nanoparticles (NPs) to degrade the mixture of (MB + RhB) dyes and produce hydrogen (H2) gas. We employed a straightforward and effective hydrothermal technique to produce both undoped Nb2O5 and a series of La–Mo co-doped Nb2O5 NPs. We investigated the morphological, structural, optical, and spectral characteristics using the SEM, XRD, EDS, UV–Vis, PL, BET, FT-IR, and PEC analysis. The ionic radii of the dopant La and Mo are comparable to those of Nb2O5, which has a significant impact on decreasing the rate at which photo-generated electron/hole pairs recombine. This results in band gap reductions of up to 2.73 eV for direct transitions. We assessed the photocatalytic properties of the NPs by exposing the dye mixture to visible light. The increased surface-to-volume ratio resulting from the smaller NPs leads to a higher number of active adsorption sites, thereby improving the catalyst's photocatalytic activity and H2 production. This optimal sample has outstanding electrical conductivity, according to the EIS test. It is notable that the La0.04Mo0.04Nb1.92O5 catalyst demonstrates optimal outcomes due to its ability to achieve a maximum degradation of 98 % within 56 min and produce more hydrogen (1 5.2mmol/gh). We assessed the stability of the optimized NPs by implementing recycling and trapping experiments. The exceptional photocatalytic performance of as-synthesized La0.04Mo0.04Nb1.92O5 NPs illustrates their potential applications in wastewater treatment and H2 production by water splitting.
{"title":"To study the impact of La and Mo coexistence in pure Nb2O5 nanostructure for the improvement of photocatalytic hydrogen production and verification by theoretical analysis","authors":"Muhammad Tanveer ,&nbsp;Safeera Yasmeen ,&nbsp;Ahmad Ruhan Ali ,&nbsp;M.A. Qadeer ,&nbsp;Ghulam Nabi ,&nbsp;Muhammad Tahir ,&nbsp;Husnain Haider Cheema ,&nbsp;Thamraa Alshahrani ,&nbsp;Mohammed Asiri","doi":"10.1016/j.matchemphys.2025.130497","DOIUrl":"10.1016/j.matchemphys.2025.130497","url":null,"abstract":"<div><div>The present study conducted the synthesis of pure (Nb<sub>2</sub>O<sub>5</sub>) and a series of La–Mo co-doped Nb<sub>2</sub>O<sub>5</sub> nanoparticles (NPs) to degrade the mixture of (MB + RhB) dyes and produce hydrogen (H<sub>2</sub>) gas. We employed a straightforward and effective hydrothermal technique to produce both undoped Nb<sub>2</sub>O<sub>5</sub> and a series of La–Mo co-doped Nb<sub>2</sub>O<sub>5</sub> NPs. We investigated the morphological, structural, optical, and spectral characteristics using the SEM, XRD, EDS, UV–Vis, PL, BET, FT-IR, and PEC analysis. The ionic radii of the dopant La and Mo are comparable to those of Nb<sub>2</sub>O<sub>5</sub>, which has a significant impact on decreasing the rate at which photo-generated electron/hole pairs recombine. This results in band gap reductions of up to 2.73 eV for direct transitions. We assessed the photocatalytic properties of the NPs by exposing the dye mixture to visible light. The increased surface-to-volume ratio resulting from the smaller NPs leads to a higher number of active adsorption sites, thereby improving the catalyst's photocatalytic activity and H<sub>2</sub> production. This optimal sample has outstanding electrical conductivity, according to the EIS test. It is notable that the La<sub>0.04</sub>Mo<sub>0.04</sub>Nb<sub>1.92</sub>O<sub>5</sub> catalyst demonstrates optimal outcomes due to its ability to achieve a maximum degradation of 98 % within 56 min and produce more hydrogen (1 <span><math><mrow><mn>5.2</mn><mspace></mspace><mi>m</mi><mi>m</mi><mi>o</mi><mi>l</mi><mo>/</mo><mi>g</mi><mi>h</mi></mrow></math></span>). We assessed the stability of the optimized NPs by implementing recycling and trapping experiments. The exceptional photocatalytic performance of as-synthesized La<sub>0.04</sub>Mo<sub>0.04</sub>Nb<sub>1.92</sub>O<sub>5</sub> NPs illustrates their potential applications in wastewater treatment and H<sub>2</sub> production by water splitting.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130497"},"PeriodicalIF":4.3,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143350279","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
Stabilization mechanism of 2D energetic polymer intercalated HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocane) crystals
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-04 DOI: 10.1016/j.matchemphys.2025.130505
Hao-Rui Zhang , Zhi-Hua Xue , Jie-Yao Lyu , Qi-Long Yan
The intercalation of the two-dimensional triamino guanidine-glyoxal polymer (TAGP) into 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane (HMX) crystals, forming so-called hybrid qy-HMX crystals, has been found to be able to significantly increase the energy density and thermal stability of HMX. However, the physicochemical interactions between them remain to be explored. This study conducted theoretical calculations and in situ X-ray diffraction (XRD) experiments to investigated these interactions, particularly for the conformational transition of the hybrid crystal. The results showed that the presence of TAGP would constrain the conformation and arrangement of HMX molecules. Bond length analysis indicated that the TAGP intercalation can shorten N–N bond lengths of HMX, which effectively suppresses the thermal decomposition initiated by the rupture of N–NO2. The In situ XRD simulations and experiments confirmed the improvement in thermal stability of qy-HMX in comparison to the raw β-HMX, raising by stronger resistance to polycrystalline transitions of qy-HMX. The enhanced stability was attributed to the constraining effect of TAGP, forcing HMX molecules to maintain a ‘boat-chair’ conformation. Once constraint with TAGP formed, the ‘boat-chair’ conformation can exist stably even at room temperature, resulting in remarkable thermal stability of qy-HMX. Besides, electronic density of states calculations suggested that the intercalation of TAGP may decrease the number of electronic states in qy-HMX crystals near the Fermi level, contributing to the thermal stability improvement. In addition, further analysis on the interaction mode between HMX and TAGP molecules confirmed the presence of hydron bond and van der Waals interactions, which should be responsible for the stabilization of hybrid qy-HMX crystals. This study provided insights in the stabilization mechanism of TAGP Intercalated HMX, and it indicated this strategy can offer an efficient method for developing high-performance and low-sensitivity energetic crystals.
{"title":"Stabilization mechanism of 2D energetic polymer intercalated HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocane) crystals","authors":"Hao-Rui Zhang ,&nbsp;Zhi-Hua Xue ,&nbsp;Jie-Yao Lyu ,&nbsp;Qi-Long Yan","doi":"10.1016/j.matchemphys.2025.130505","DOIUrl":"10.1016/j.matchemphys.2025.130505","url":null,"abstract":"<div><div>The intercalation of the two-dimensional triamino guanidine-glyoxal polymer (TAGP) into 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane (HMX) crystals, forming so-called hybrid qy-HMX crystals, has been found to be able to significantly increase the energy density and thermal stability of HMX. However, the physicochemical interactions between them remain to be explored. This study conducted theoretical calculations and <em>in situ</em> X-ray diffraction (XRD) experiments to investigated these interactions, particularly for the conformational transition of the hybrid crystal. The results showed that the presence of TAGP would constrain the conformation and arrangement of HMX molecules. Bond length analysis indicated that the TAGP intercalation can shorten N–N bond lengths of HMX, which effectively suppresses the thermal decomposition initiated by the rupture of N–NO<sub>2</sub>. The <em>In situ</em> XRD simulations and experiments confirmed the improvement in thermal stability of qy-HMX in comparison to the raw <em>β</em>-HMX, raising by stronger resistance to polycrystalline transitions of qy-HMX. The enhanced stability was attributed to the constraining effect of TAGP, forcing HMX molecules to maintain a ‘boat-chair’ conformation. Once constraint with TAGP formed, the ‘boat-chair’ conformation can exist stably even at room temperature, resulting in remarkable thermal stability of qy-HMX. Besides, electronic density of states calculations suggested that the intercalation of TAGP may decrease the number of electronic states in qy-HMX crystals near the Fermi level, contributing to the thermal stability improvement. In addition, further analysis on the interaction mode between HMX and TAGP molecules confirmed the presence of hydron bond and <em>van der Waals</em> interactions, which should be responsible for the stabilization of hybrid qy-HMX crystals. This study provided insights in the stabilization mechanism of TAGP Intercalated HMX, and it indicated this strategy can offer an efficient method for developing high-performance and low-sensitivity energetic crystals.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130505"},"PeriodicalIF":4.3,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143379370","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
Pulsed laser-induced generation of gold-titania core-shell nanostructures: Tunable morphology and optical characteristics
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-03 DOI: 10.1016/j.matchemphys.2025.130503
Manal Alhathal , Mahmood Alhajj , A.A. Salim , Ganesan Krishnan , S.K. Ghoshal
The large-scale production of diverse nanostructures with tuneable properties and high-tech compatible performance remains challenging for numerous practical applications. Thus, some spherical gold-titania coreshell nanostructures (Au–TiO2CSNSs) were prepared in deionized water (DIW) via the pulse laser ablation in liquid (PLAL) approach. The optical, structural, and morphological traits of the prepared CSNSs were tailored by adjusting the Q-switched Nd: YAG (1064 nm) laser parameters. TEM images of CSNSs revealed their crystalline spherical morphology with mean diameter of 8.11 ± 4.28 nm. EDX spectrum of CSNSs detected the presence of all chemical elements. XRD pattern, UV–Vis and FTIR spectra of these CSNSs disclosed their high crystallinity, robust optical absorbance and uniform dispersion in DIW, respectively. PL spectra of CSNSs showed intense emission peak around 332 nm. Optical band gap energy of CSNSs corresponded to 4.0 eV. The proposed CSNSs can be promising for UV-based technologies and optical coatings applications.
{"title":"Pulsed laser-induced generation of gold-titania core-shell nanostructures: Tunable morphology and optical characteristics","authors":"Manal Alhathal ,&nbsp;Mahmood Alhajj ,&nbsp;A.A. Salim ,&nbsp;Ganesan Krishnan ,&nbsp;S.K. Ghoshal","doi":"10.1016/j.matchemphys.2025.130503","DOIUrl":"10.1016/j.matchemphys.2025.130503","url":null,"abstract":"<div><div>The large-scale production of diverse nanostructures with tuneable properties and high-tech compatible performance remains challenging for numerous practical applications. Thus, some spherical gold-titania coreshell nanostructures (Au–TiO<sub>2</sub>CSNSs) were prepared in deionized water (DIW) via the pulse laser ablation in liquid (PLAL) approach. The optical, structural, and morphological traits of the prepared CSNSs were tailored by adjusting the Q-switched Nd: YAG (1064 nm) laser parameters. TEM images of CSNSs revealed their crystalline spherical morphology with mean diameter of 8.11 ± 4.28 nm. EDX spectrum of CSNSs detected the presence of all chemical elements. XRD pattern, UV–Vis and FTIR spectra of these CSNSs disclosed their high crystallinity, robust optical absorbance and uniform dispersion in DIW, respectively. PL spectra of CSNSs showed intense emission peak around 332 nm. Optical band gap energy of CSNSs corresponded to 4.0 eV. The proposed CSNSs can be promising for UV-based technologies and optical coatings applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130503"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143293584","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
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Materials Chemistry and Physics
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