Journal of Inorganic and Organometallic Polymers and Materials最新文献

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Optimizing Photocatalytic Efficiency and Durability of Zeolite-Based Catalysts via Cation Doping for Effective Dye Contaminant Removal 通过阳离子掺杂优化沸石基催化剂的光催化效率和耐久性,从而有效去除染料污染物
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-06 DOI: 10.1007/s10904-024-03311-0
Maryam Moosavifar, Sara Akbari, Maryam Nejat Dehkordi
{"title":"Optimizing Photocatalytic Efficiency and Durability of Zeolite-Based Catalysts via Cation Doping for Effective Dye Contaminant Removal","authors":"Maryam Moosavifar,&nbsp;Sara Akbari,&nbsp;Maryam Nejat Dehkordi","doi":"10.1007/s10904-024-03311-0","DOIUrl":"10.1007/s10904-024-03311-0","url":null,"abstract":"<div><p>Ce and Fe decorated on dealuminated zeolite Y (CFDDAZY) framework were prepared using isomorphous substitution method using dealumination treatment and impregnation methods to the formation of Si–O-Ce and Si–O-Fe bonds. For this purpose, we selected three distinct ratios of metals/zeolite, being 1:3, 1:10, and 1:20. An important outcome was achieved with a 1:20 ratio of metals to zeolite, providing strong evidence for the superiority of this configuration. The catalyst was characterized using XRD, FT-IR, UV–Vis, FESEM, TEM, EDX, and BET techniques. The prepared catalyst was evaluated in the degradation of 4-nitrophenol. To optimize the process, we conducted the effect of various parameters, including reaction time, catalyst amount, temperature, pH, isoelectric point, and 4-NP concentration on the photodegradation process. The optimal conditions for the removal of 4-NP were obtained in the presence of DAZY decorated with Fe and Ce under ultraviolet radiation, 40 µL of hydrogen peroxide, 0.03 g of photocatalyst, and a concentration of 5 × 10<sup>–4</sup> M 4-nitrophenol during 90 min. The mineralization of 4-nitrophenol (4-NP) was verified through COD experiments, resulting in a removal efficiency of 72.80%. Studying Hinshelwood’s equations revealed that the reaction rate was pseudo-first-order. The catalyst can be reused up to five times while maintaining its catalytic activity. Furthermore, the proposed degradation mechanism is introduced.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"538 - 551"},"PeriodicalIF":3.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Charles E. Carraher, Jr 小查尔斯-E-卡拉赫
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-06 DOI: 10.1007/s10904-024-03317-8
John P. Droske
{"title":"Charles E. Carraher, Jr","authors":"John P. Droske","doi":"10.1007/s10904-024-03317-8","DOIUrl":"10.1007/s10904-024-03317-8","url":null,"abstract":"","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"34 7","pages":"2832 - 2833"},"PeriodicalIF":3.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142410161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Biomass-Derived N-Doped Ordered Mesoporous Carbon-Supported Gold Nanoparticles: An Efficient Catalyst for the Reduction of Nitroaromatic Pollutants 生物质衍生的 N 掺杂有序介孔碳支撑金纳米颗粒:还原硝基芳香族污染物的高效催化剂
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-06 DOI: 10.1007/s10904-024-03307-w
Maryam Zirak, Maryam Jalalat, Saleh Vahdati-Khajeh, Masoumeh Servati Gargari, Sheida Latifi Rad, Bagher Eftekhari-Sis
{"title":"Biomass-Derived N-Doped Ordered Mesoporous Carbon-Supported Gold Nanoparticles: An Efficient Catalyst for the Reduction of Nitroaromatic Pollutants","authors":"Maryam Zirak,&nbsp;Maryam Jalalat,&nbsp;Saleh Vahdati-Khajeh,&nbsp;Masoumeh Servati Gargari,&nbsp;Sheida Latifi Rad,&nbsp;Bagher Eftekhari-Sis","doi":"10.1007/s10904-024-03307-w","DOIUrl":"10.1007/s10904-024-03307-w","url":null,"abstract":"<div><p><i>N</i>-Doped highly ordered mesoporous carbon (N-OMC) material was synthesized by impregnation of egg-yolk biomass into the SBA-15 template, followed by carbonization at 700 °C under an atmosphere of N<sub>2</sub>, and removal of the SBA-15 silica moiety with an alkaline aqueous solution under heating conditions. Au nanoparticles were decorated on the surface of the N-OMC material by chemical reduction of NaAuCl<sub>3</sub> using NaBH<sub>4</sub> in the presence of N-OMC. The synthesized Au@N-OMC was characterized by XRD, SEM, TEM, XPS, BET and EDS, which showed the successful decoration of Au nanoparticles on the surface of mesoporous carbon. Au@N-OMC showed high catalytic activity in the remediation of nitroaromatic pollutants from wastewater by reduction to the corresponding aniline derivatives. The kinetics of the Au@N-OMC-catalyzed reduction of 4-nitrophenol was investigated, which showed that the reduction in the presence of excess amount of NaBH<sub>4</sub> reductant, followed pseud-first-order kinetics. Three methods were carried out to investigate the reusability of the Au@N-OMC catalyst, which showed that the recycled catalyst could be reused several times without significant changes in catalytic activity. The leaching test was also performed by separating the Au@N-OMC catalyst at the half time of the reaction, revealing the heterogeneity of the catalyst.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"527 - 537"},"PeriodicalIF":3.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Optimizing Mechanical Performance in Woven Basalt Fibers/Epoxy Composites: Using Silane Coupling Agents to Modify Epoxy Resin for Fiber-Matrix Interface 优化编织玄武岩纤维/环氧树脂复合材料的机械性能:使用硅烷偶联剂改性环氧树脂以实现纤维-基体界面
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-06 DOI: 10.1007/s10904-024-03301-2
Nabil Kadhim Taieh, Haneen Sameer Hakeem, Mayameen S. Kadhim, Mohanad Kadhim Mejbel, Isam Tareq Abdullah, Riyadh Al-Attabi, Maryam Firas Muhsen, Sara H. Shahatha, Anees Kadhim Tayyeh, Ali Hussein Jaddoa, Ying Li, Man Jiang, Xi Liu
{"title":"Optimizing Mechanical Performance in Woven Basalt Fibers/Epoxy Composites: Using Silane Coupling Agents to Modify Epoxy Resin for Fiber-Matrix Interface","authors":"Nabil Kadhim Taieh,&nbsp;Haneen Sameer Hakeem,&nbsp;Mayameen S. Kadhim,&nbsp;Mohanad Kadhim Mejbel,&nbsp;Isam Tareq Abdullah,&nbsp;Riyadh Al-Attabi,&nbsp;Maryam Firas Muhsen,&nbsp;Sara H. Shahatha,&nbsp;Anees Kadhim Tayyeh,&nbsp;Ali Hussein Jaddoa,&nbsp;Ying Li,&nbsp;Man Jiang,&nbsp;Xi Liu","doi":"10.1007/s10904-024-03301-2","DOIUrl":"10.1007/s10904-024-03301-2","url":null,"abstract":"<div><p>This study reveals that incorporating silane-coupling agents such as KH560, KH590, KH570, and KH550 into the resin matrix can improve the epoxy mechanical performance as well as the interfacial interaction between basalt fibers and modified epoxy. The increasing silane contents slightly increased thermal stability and char yields. The study also found that amino-silane coupling agents, particularly KH550, demonstrated better thermal stability enhancement. Pure epoxy had a Tg of 91.4 °C, while epoxy had modified with 9wt% KH550 exhibited the highest Tg of 98.7 °C. For instance, at 6 wt% concentration of KH560, KH590, KH570, and KH550, the flexural strength of the epoxy matrix increased by 69.4%, 57.6%, 83.4%, and 84.7%, respectively. When the content of KH590, KH570, and KH550 is 9 wt%, the tensile increases by 77.6, 49.0, and 79.6%, respectively. The W-BFs/epoxy composite flexural strength enhanced by 65.3, 81.5, and 74.5%, respectively. The compatibilizing agent would react with the silicon hydroxyl groups on the surface of the basalt fibers, as well as with the epoxide in the resin. This would create a Si-O-Si new bond, which would make the connection between the modified epoxy and the basalt fibers stronger. This process is favored for its cost-effectiveness and user-friendly operation.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"680 - 696"},"PeriodicalIF":3.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Fabrication and Solidification Kinetics of Thin Polyethylene Films via Thermally-Induced Phase Separation (TIPS) with Well-Controlled Thickness 通过热诱导相分离 (TIPS) 制作厚度可控的聚乙烯薄膜及其凝固动力学
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-06 DOI: 10.1007/s10904-024-03290-2
Ting Zhang, Yaoyang Chen, Bin Yang, Xiaohong Wang, Zhengzhi Zheng, Jinpu Wu, Tianyu Lu, Jiaojiao Sang, Shijun Kang, Weiqiang Hu, Weiguo Zhang, Yuchao Ke
{"title":"Fabrication and Solidification Kinetics of Thin Polyethylene Films via Thermally-Induced Phase Separation (TIPS) with Well-Controlled Thickness","authors":"Ting Zhang,&nbsp;Yaoyang Chen,&nbsp;Bin Yang,&nbsp;Xiaohong Wang,&nbsp;Zhengzhi Zheng,&nbsp;Jinpu Wu,&nbsp;Tianyu Lu,&nbsp;Jiaojiao Sang,&nbsp;Shijun Kang,&nbsp;Weiqiang Hu,&nbsp;Weiguo Zhang,&nbsp;Yuchao Ke","doi":"10.1007/s10904-024-03290-2","DOIUrl":"10.1007/s10904-024-03290-2","url":null,"abstract":"<div><p>In the realm of battery separator membranes, polyethylene microporous membranes hold significant promise due to their high density, robust mechanical properties, and eco-friendliness. Thermally-induced phase separation (TIPS) stands out as a crucial technique for fabricating polyolefin microporous membranes. Existing research has predominantly focused on leveraging TIPS technology to enhance the electrochemical performance of such membranes, overlooking a comprehensive grasp of the film formation process within TIPS. This study delves into the detailed TIPS film formation process of a high-density polyethylene (HDPE)/dioctyl phthalate (DOP) film-forming system. Based on experimental findings, there existed a discernible relationship among the blade coating thickness (δ<sub>s</sub>), HDPE mass fraction (ω<sub>H</sub>), and final film thickness (δ<sub>f</sub>). When δ<sub>s</sub> is determined, δ<sub>f</sub> exhibits an initial increase followed by a subsequent decrease as ω<sub>H</sub> increases. Infrared thermal imaging (ITI) technology was employed to in-situ track the location of phase interface in the HDPE/DOP system, revealing that heightened film scraping thickness and increased HDPE content jointly led to a gradual deceleration in the system’s cooling rate. The utilization of a four-parameter model (FPM) to fit the cooling curves of the HDPE/DOP melt blend under 20 °C quenching in air conditions displayed an exceptional degree of conformity (with all regression coefficients exceeding 0.99). Parameter <i>D</i> in FPM was influenced not only by the polymer property but also by ω<sub>H</sub> and δ<sub>f</sub>, and our findings revealed that with ω<sub>H</sub> set at 30% and δ<sub>s</sub> at 200 μm, parameter <i>D</i> approached a value of 4. The present work advances the current comprehension of the formation process of HDPE TIPS films and furnishes pivotal insights for optimizing the thermodynamics and process variables essential for solidification of HDPE TIPS films in practical applications.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"518 - 526"},"PeriodicalIF":3.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Investigation of Opto-Electronic and Thermoelectric Characteristics of Halide Perovskite CdLiCl3 for Energy Conversion Applications at Different Pressure 不同压力下卤化物透镜 CdLiCl3 在能源转换应用中的光电和热电特性研究
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-06 DOI: 10.1007/s10904-024-03284-0
Sadia Nazir, N. A. Noor, Abdelaziz Gassoumi, Kamran Abid, M. Sohail Mumtaz, H.-E. Musa Saad
{"title":"Investigation of Opto-Electronic and Thermoelectric Characteristics of Halide Perovskite CdLiCl3 for Energy Conversion Applications at Different Pressure","authors":"Sadia Nazir,&nbsp;N. A. Noor,&nbsp;Abdelaziz Gassoumi,&nbsp;Kamran Abid,&nbsp;M. Sohail Mumtaz,&nbsp;H.-E. Musa Saad","doi":"10.1007/s10904-024-03284-0","DOIUrl":"10.1007/s10904-024-03284-0","url":null,"abstract":"<div><p>The physical properties of CdLiCl<sub>3</sub> halides have been investigated for potential energy renewable applications by subjecting it to pressures up to 8 GPa based on DFT using Wien2k. The PBE<sub>sol</sub>-GGA method was employed to calculate the lattice constant of CdLiCl<sub>3</sub> and the result is quite consistent with the existing measurement. Our findings confirmed the mechanical, thermodynamic and structural stability of the cubic phase through criteria such as Born mechanical stability, formation energy and phonon dispersion plot. Additionally, the assessment of ductile strength has been determined using critical limit of Pugh ratio (&gt; 1.75) and Poisson’s ratio (&gt; 0.26). A varying pressure range spanning from 0GPa to 8GPa was systematically investigated with an increment of 2 GPa to analyze the impact of pressure on band structure. A reduction in band gap from 1.60 eV to 15.2 eV has been observed in CdLiCl<sub>3</sub> halides when 0 to 8 GPa pressure was applied. This reduction in bandgap affects the various optical parameters including absorption, refraction, reflection and optical loss factor. Moreover, comprehensive analysis on thermoelectric features has been taken into account, encompassing the assessment of electrical and thermal conductivities, Seebeck coefficient and power factor. Notably, the material exhibited a minimal reflection alongside maxima absorption within the visible spectrum range and observed thermoelectric features, signifying its crucial importance in energy-harvesting devices.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"493 - 502"},"PeriodicalIF":3.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Eco-Friendly Breakthrough: Visible Light Harvesting Fe2VO4/CS/g-ZnO Nanocomposite for Highly Effective Chloramphenicol Photocatalytic Degradation 环保突破:用于高效氯霉素光催化降解的可见光收集 Fe2VO4/CS/g-ZnO 纳米复合材料
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-06 DOI: 10.1007/s10904-024-03288-w
Sivagurusundar Ramar, Filip Jones Benjamin Moses, Arul Velusamy, Kasthuri Natarajan, Radhakrishnan Kothalam, Balasankar Athinarayanan, Devi Satiya Kanagavel Mahendran, Annadurai Gurusamy, Nagarajan Erumaipatty Rajagounder
{"title":"Eco-Friendly Breakthrough: Visible Light Harvesting Fe2VO4/CS/g-ZnO Nanocomposite for Highly Effective Chloramphenicol Photocatalytic Degradation","authors":"Sivagurusundar Ramar,&nbsp;Filip Jones Benjamin Moses,&nbsp;Arul Velusamy,&nbsp;Kasthuri Natarajan,&nbsp;Radhakrishnan Kothalam,&nbsp;Balasankar Athinarayanan,&nbsp;Devi Satiya Kanagavel Mahendran,&nbsp;Annadurai Gurusamy,&nbsp;Nagarajan Erumaipatty Rajagounder","doi":"10.1007/s10904-024-03288-w","DOIUrl":"10.1007/s10904-024-03288-w","url":null,"abstract":"<div><p>This paper presents highly efficient synthesis to address the widespread environmental problem of pharmaceuticals polluting. Through nanocomposite exhibits remarkable catalytic prowess, thereby advancing the efficacy of water treatment processes. Fe<sub>2</sub>VO<sub>4</sub> and g-ZnO (green synthesized ZnO) were separately synthesized via hydrothermal method. Whereas, Chitosan (CS) was fabricated via ionotropic gelation method. Finally, the Fe<sub>2</sub>VO<sub>4</sub>/CS/g-ZnO nanocomposite was fabricated by common stirring method, which undergoes investigated by multiple techniques such as XRD to know the average crystallite size (25 nm). Whereas, SEM and TEM used to identify the morphology. Optical properties such as UV–Vis DRS used to find-out the band gap (1.9 eV and PL shows the recombination rate. EIS shows the effective charge transfer. The surface area was investigated by using BET (6.10 m<sup>2</sup> g<sup>−1</sup>) and TGA-DTA (stability at 500 to 700 °C), the samples were used to study the Chloramphenicol (CAP) degradation in water when exposed to visible light. The photocatalytic degradation of was studied using the Fe<sub>2</sub>VO<sub>4</sub>/CS/g-ZnO nanocomposite, achieving an efficiency of 91.5% under optimal conditions of 40 mg of catalyst dosage and 10 mg/L initial CAP concentration, following pseudo-first-order kinetics with a rate of 0.0351 min<sup>−1</sup>. It was determined that the main reactive species in charge of CAP degradation were hydroxyl radicals and holes. At last, a workable charge transfer mechanism was put forth into account for the generation of the reactive species, and GC–MS analysis was utilized to monitor the CAP degradation path. Above results address a crucial problem in modern environmental research by making a substantial contribution to the development of environmentally friendly and sustainable water purification methods that protect aquatic ecosystems.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"503 - 517"},"PeriodicalIF":3.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Study of Structural, Electronic, Optical, Mechanical, and Thermodynamic Properties of Perovskite RbX2Ta3O10 (X = Ca and Mg) Materials for Photocatalytic Applications: A DFT Insights 用于光催化应用的包晶 RbX2Ta3O10 (X = Ca 和 Mg) 材料的结构、电子、光学、机械和热力学性质研究:DFT 见解
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-05 DOI: 10.1007/s10904-024-03274-2
Shoukat Hussain, Jalil Ur Rehman, M. Bilal Tahir, Abid Hussain
{"title":"Study of Structural, Electronic, Optical, Mechanical, and Thermodynamic Properties of Perovskite RbX2Ta3O10 (X = Ca and Mg) Materials for Photocatalytic Applications: A DFT Insights","authors":"Shoukat Hussain,&nbsp;Jalil Ur Rehman,&nbsp;M. Bilal Tahir,&nbsp;Abid Hussain","doi":"10.1007/s10904-024-03274-2","DOIUrl":"10.1007/s10904-024-03274-2","url":null,"abstract":"<div><p>Energy production has become a major issue in the modern era of meeting energy demands. In this regard, we examined the mechanical, optical, electronic, structural, and thermodynamic characteristics of RbX<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub> (X = Ca and Mg) perovskite compounds by using the CASTEP code’s based GGA-PBE approach. RbX<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub> (X = Ca and Mg) has a tetragonal-based structure with the space group p4/mmm (123) and the structure is stable according to formation energy − 7.579 eV and − 8.167 eV. According to findings, RbCa<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub> and RbMg<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub> material’s electronic characteristics suggest that they have semiconductor behavior with indirect bandgap of 1.56 eV and 1.42 eV, respectively. To understand the relationship between light and its interaction with matter, the optical characteristics of substances were calculated and addressed in terms of the energy of photons. Mechanical properties analysis revealed that RbMg<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub> is a material with ductility (B/G = 2.04), while RbCa<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub> is brittle (B/G = 0.58). Elastic constant values are used to compute the following thermodynamic properties of RbCa<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub> and RbMg<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub>: density (5.966, 5.854) g/cm<sup>3</sup>, average sound velocity (3827.679, 3005.348) m/s, minimum thermal conductivity (1.091, 0.952) W/mK, melting temperature (842.370, 1147.290) K, and Debye temperature (440.438, 233.496) K. Our examination expected that these materials can be used in visible light photocatalytic processes devices to split water.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"384 - 395"},"PeriodicalIF":3.9,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940971","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Exploring the Multifaceted Nature of (mathbf{T}mathbf{a}{mathbf{C}mathbf{u}}_{3}{mathbf{rm X}}_{4}left(mathbf{rm X}=mathbf{S},mathbf{S}mathbf{e},mathbf{T}mathbf{e}right)) Materials: A DFT Study Revealing Promising Structural, Optoelectronic, Thermodynamic and Thermoelectric Properties 探索 $$mathbf{T}mathbf{a}{mathbf{C}mathbf{u}}_{3}{mathbf{rm X}}_{4}left(mathbf{rm X}=mathbf{S},mathbf{S}mathbf{e},mathbf{T}mathbf{e}right)$$ 材料的多面性:DFT 研究揭示了有前途的结构、光电、热力学和热电特性
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-05 DOI: 10.1007/s10904-024-03297-9
Muhammad Tauqeer, Muhammad Mubashir, Dilbar Khan, Ahmad M. Saeedi, Raed H. Althomali, Gideon F. B. Solre, Muhammad Ehsan Mazhar, Majed M. Alghamdi, Adel A. El-Zahhar, Sana Ullah Asif, Muhammad Asif Iqbal
{"title":"Exploring the Multifaceted Nature of (mathbf{T}mathbf{a}{mathbf{C}mathbf{u}}_{3}{mathbf{rm X}}_{4}left(mathbf{rm X}=mathbf{S},mathbf{S}mathbf{e},mathbf{T}mathbf{e}right)) Materials: A DFT Study Revealing Promising Structural, Optoelectronic, Thermodynamic and Thermoelectric Properties","authors":"Muhammad Tauqeer,&nbsp;Muhammad Mubashir,&nbsp;Dilbar Khan,&nbsp;Ahmad M. Saeedi,&nbsp;Raed H. Althomali,&nbsp;Gideon F. B. Solre,&nbsp;Muhammad Ehsan Mazhar,&nbsp;Majed M. Alghamdi,&nbsp;Adel A. El-Zahhar,&nbsp;Sana Ullah Asif,&nbsp;Muhammad Asif Iqbal","doi":"10.1007/s10904-024-03297-9","DOIUrl":"10.1007/s10904-024-03297-9","url":null,"abstract":"<div><p>The present study looks into the <span>({text{TaCu}}_{3}{text{rm X}}_{4} (text{rm X}=text{S},text{ Se},text{Te}))</span> compounds’ structural, mechanical, electronic, thermodynamic, optical, as well as thermoelectric attributes using a First-Principles computational method based on the Density-Functional theory (DFT) methodology. Initially, the implementation of the PBE-GGA approach was done to determine the lattice constants of the understudied compounds. A thorough analysis of the binding energy calculations has been performed to determine the structural stability of selected chemicals. Additionally, the study of elastic stiffness constants is utilized to evaluate the mechanical stability. It has been reported that the <span>({text{TaCu}}_{3}{text{rm X}}_{4}(text{rm X}=text{S},text{ Se},text{Te}))</span> compounds are mechanically stable due to fulfillment of Born-Stability criteria <span>(({C}_{44}&lt;0))</span>. Through the determination of Pugh’s along with passion ratios as well as the Cauchy pressure, the ductile and the brittleness nature of the <span>({text{TaCu}}_{3}{text{rm X}}_{4}(text{rm X}=text{S},text{ Se},text{Te}))</span> compounds have been established. An analysis of the electronic band structure, total density of states, as well as partial density of states was performed in order to ascertain the electronic features. It has been shown that the compounds <span>({text{TaCu}}_{3}{text{rm X}}_{4}(text{rm X}=text{S},text{ Se},text{Te}))</span> exhibit indirect band gaps of 1.71, 1.65 and 0.14 eV, respectively. The thermodynamic stability of the materials under investigation was depicted by the computation of the Born-criteria along with binding energy. We have computed and evaluated a number of optical characteristics. In addition to presenting opacity at lower incoming photon energy levels, the selected compounds display considerable optical conductivity as well as absorption coefficients when subjected to energetic beams of photons. Moreover, <span>(text{BoltzTraP})</span> coding was utilized to evaluate the examined compounds <span>({text{TaCu}}_{3}{text{rm X}}_{4}(text{rm X}=text{S},text{ Se},text{Te}))</span> potential for thermoelectric uses. Based on an analysis of the Seebeck coefficient, electric and thermal conductivity, and power factor, it seems that the studied-compounds have potential to be effective candidates for applications in thermoelectric technology.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"420 - 438"},"PeriodicalIF":3.9,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
CuO-La2O3 Composite-Enabled MIS Schottky Barrier Diodes: A Novel Approach to Optoelectronic Device Diversification 采用 CuO-La2O3 复合材料的 MIS 肖特基势垒二极管:光电器件多样化的新方法
IF 3.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2024-08-05 DOI: 10.1007/s10904-024-03277-z
M. Justin Paul, R. Suresh, P. Gayathri, V. Balasubramani, Khalid Mashay Al-Anazi, Mohammad Abul Farah
{"title":"CuO-La2O3 Composite-Enabled MIS Schottky Barrier Diodes: A Novel Approach to Optoelectronic Device Diversification","authors":"M. Justin Paul,&nbsp;R. Suresh,&nbsp;P. Gayathri,&nbsp;V. Balasubramani,&nbsp;Khalid Mashay Al-Anazi,&nbsp;Mohammad Abul Farah","doi":"10.1007/s10904-024-03277-z","DOIUrl":"10.1007/s10904-024-03277-z","url":null,"abstract":"<div><p>In this groundbreaking study, we successfully synthesized pristine La nanoparticles and Cu-La composites with varying concentrations (25, 50, and 75% Cu) via precipitation technique which yielded a dual-phase with significantly reduced crystallite size from 39.9 nm to 27.3 nm as evidenced by X-ray diffraction (XRD) analysis. Moreover, Field Emission Scanning Electron Microscope (FE-SEM) imaging revealed a striking transformation from rice-like nanoparticles in pure La to spherical nanoparticles with uniform distribution in Cu-La composites, and X-ray Photoelectron Spectroscopy (XPS) analysis confirmed the formation of La<sup>3+</sup> and Cu<sup>2+</sup> ions with spin-orbit splitting energy levels in CuO-La<sub>2</sub>O<sub>3</sub> composites consistent with XRD and FT-IR results. Additionally, the band gap energy calculated from optical absorbance ranged from 3.447 to 2.276 eV indicating potential for optoelectronic applications and furthermore, the thermionic-emission (TE) model was employed to extract the ideality factor (n) and barrier height (Ф<sub>B</sub>) from I-V characteristics, yielding an optimal n and Ф<sub>B</sub> which corresponding to 1.70 and 0.89 eV under both light and dark conditions thereby making this material a promising candidate for optoelectronic devices.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 1","pages":"396 - 408"},"PeriodicalIF":3.9,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141940973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
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