首页 > 最新文献

Journal of the Indian Chemical Society最新文献

英文 中文
Luminescent samarium(III) complexes: Photophysical insights and computational studies for photonics and forensic applications 发光钐(III)配合物:光子学和法医应用的光物理见解和计算研究
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-29 DOI: 10.1016/j.jics.2025.102317
Priya Dixit, Seema Bhayana, Aarti Singh, Vinti Ghangas, Savita Khatri
A series of binary and ternary Sm(III) complexes exhibiting bright orange-red photoluminescence have been successfully synthesized with 2,4-dihydroxybenzophenone (L) serving as the main coordinating ligand in combination with four ancillary ligands: 1,10-phenanthroline, 2,2-bipyridyl, Triphenylphosphineoxide, and neocuprine, for potential photonic applications. The complexes were characterized using a range of techniques, such as elemental analysis, FTIR, NMR spectroscopy, XRD, thermal analysis (TGA-DTA), and UV–Vis absorption spectroscopy in solid state. Monitoring the excitation at 390 nm revealed that the complexes exhibited emission at 565 nm, 605 nm, 648 nm and 708 nm due to electronic transitions from 4G5/2 to 6H5/2, 6H7/2, 6H9/2 and 6H11/2 respectively, with the dominant emission peak at 648 nm appearing reddish-orange. MATLAB software was used to examine the complex's colorimetric characteristics in the solid phase. The CCT value ranges from 1714.18 to 3434.72 K whereas color purity values extents from 75.09 to 88.48 % suggesting the suitability of these complexes as warm orange red lighting source. Gaussian fitting was used to obtain the full width at half maxima (FWHM) for 4G5/2 → 6H9/2 emission transition which were then used to assess the lasing properties. Highest σse (8.5 × 10−22 cm2) was achieved for complex S3 indicating its maximum relevance in orange laser emissions. Diffuse reflectance spectroscopy revealed optical band gaps of 2.53–2.79 eV and Urbach energies of 82.71–169.6 meV, unlocking their potential as promising candidates for semiconductor device applications. According to the Judd-Ofelt analysis, these complexes have an asymmetric environment with moderate rigidity and covalent bonding surrounding the samarium ion. A computational analysis was conducted to ascertain the complexes' HOMO-LUMO energy levels. Also, these complexes show their potential use in forensic sciences in the detection of latent fingerprints.
以2,4-二羟基二苯甲酮(L)为主要配位体,与1,10-菲罗啉、2,2-联吡啶、三苯基氧化膦和新叔二酚等四种配位体结合,成功合成了一系列具有明亮橙红色光致发光的二元和三元Sm(III)配合物,具有潜在的光子应用前景。采用元素分析、FTIR、NMR、XRD、热分析(TGA-DTA)和紫外-可见吸收光谱等技术对化合物进行了表征。390 nm处的激发监测表明,由于4G5/2到6H5/2、6H7/2、6H9/2和6H11/2的电子跃迁,配合物分别在565 nm、605 nm、648 nm和708 nm处发射,648 nm处的主要发射峰呈现红橙色。利用MATLAB软件对配合物在固相中的比色特性进行了检测。CCT值范围为1714.18 ~ 3434.72 K,而色纯度值范围为75.09 ~ 88.48%,表明这些配合物适合作为暖橙红色光源。利用高斯拟合得到4G5/2→6H9/2发射跃迁的半极大点全宽度(FWHM),并以此评价激光特性。复合物S3的σse值最高(8.5 × 10−22 cm2),表明其与橙色激光发射的相关性最大。漫反射光谱显示光学带隙为2.53-2.79 eV,乌尔巴赫能量为82.71-169.6 meV,释放了它们作为半导体器件应用的潜在候选者的潜力。根据Judd-Ofelt分析,这些配合物具有中等刚性和共价键围绕钐离子的不对称环境。通过计算分析确定了配合物的HOMO-LUMO能级。此外,这些复合物显示了它们在法医科学中检测潜在指纹的潜在用途。
{"title":"Luminescent samarium(III) complexes: Photophysical insights and computational studies for photonics and forensic applications","authors":"Priya Dixit,&nbsp;Seema Bhayana,&nbsp;Aarti Singh,&nbsp;Vinti Ghangas,&nbsp;Savita Khatri","doi":"10.1016/j.jics.2025.102317","DOIUrl":"10.1016/j.jics.2025.102317","url":null,"abstract":"<div><div>A series of binary and ternary Sm(III) complexes exhibiting bright orange-red photoluminescence have been successfully synthesized with 2,4-dihydroxybenzophenone (L) serving as the main coordinating ligand in combination with four ancillary ligands: 1,10-phenanthroline, 2,2-bipyridyl, Triphenylphosphineoxide, and neocuprine, for potential photonic applications. The complexes were characterized using a range of techniques, such as elemental analysis, FTIR, NMR spectroscopy, XRD, thermal analysis (TGA-DTA), and UV–Vis absorption spectroscopy in solid state. Monitoring the excitation at 390 nm revealed that the complexes exhibited emission at 565 nm, 605 nm, 648 nm and 708 nm due to electronic transitions from <sup>4</sup>G<sub>5/2</sub> to <sup>6</sup>H<sub>5/2</sub>, <sup>6</sup>H<sub>7/2</sub>, <sup>6</sup>H<sub>9/2</sub> and <sup>6</sup>H<sub>11/2</sub> respectively, with the dominant emission peak at 648 nm appearing reddish-orange. MATLAB software was used to examine the complex's colorimetric characteristics in the solid phase. The CCT value ranges from 1714.18 to 3434.72 K whereas color purity values extents from 75.09 to 88.48 % suggesting the suitability of these complexes as warm orange red lighting source. Gaussian fitting was used to obtain the full width at half maxima (FWHM) for <sup>4</sup>G<sub>5/2</sub> → <sup>6</sup>H<sub>9/2</sub> emission transition which were then used to assess the lasing properties. Highest σ<sub>se</sub> (8.5 × 10<sup>−22</sup> cm<sup>2</sup>) was achieved for complex S3 indicating its maximum relevance in orange laser emissions. Diffuse reflectance spectroscopy revealed optical band gaps of 2.53–2.79 eV and Urbach energies of 82.71–169.6 meV, unlocking their potential as promising candidates for semiconductor device applications. According to the Judd-Ofelt analysis, these complexes have an asymmetric environment with moderate rigidity and covalent bonding surrounding the samarium ion. A computational analysis was conducted to ascertain the complexes' HOMO-LUMO energy levels. Also, these complexes show their potential use in forensic sciences in the detection of latent fingerprints.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102317"},"PeriodicalIF":3.4,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
An efficient chitosan-based tetra nanocomposite for rapid removal of basic fuchsin from aqueous solution 壳聚糖基四纳米复合材料快速去除碱性品红的研究
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.jics.2025.102320
Sushma Yadav , Anupama Asthana , Jyoti Patel , Ajaya K. Singh , S. Sreevidya , Ravin M. Jugade , Md. Abu Bin Hasan Susan , Ranjana Dewangan
In this work, Mn-impregnated activated charcoal/Fe3O4/graphene oxide/chitosantetra nanocomposite (Mn-AC/Fe3O4/GO/CH) was synthesized by using a simple, facile, and inexpensive method and used as an adsorbent for adsorption of basic fuchsin (BF) from aqueous medium. The adsorbent was prepared in the form of an aerogel. The prepared adsorbent was characterized to study the dimensional-structural features along with morphological characteristics.The parameters influencing adsorption were optimized. The equilibrium was attained when the maximum contact time was 160 min at 303 K with BF uptake of 344.82 mg/g for the batch-adsorption process. A good fit of the adsorption data was noted with Temkin model and kinetic data were consistent with pseudo-second order model. The thermodynamic parameters were suggestive of an endothermic process with spontaneity for the adsorption. Overall, the tetra nanocomposite could be synthesized easily and remarkable performance for BF adsorption was obtained while ensuring biodegradability.
本文采用简单、简便、廉价的方法合成了mn -浸渍活性炭/Fe3O4/氧化石墨烯/壳聚糖纳米复合材料(Mn-AC/Fe3O4/GO/CH),并将其用作吸附碱性品红(BF)的吸附剂。该吸附剂以气凝胶的形式制备。对制备的吸附剂进行了表征,研究了吸附剂的尺寸结构特征和形态特征。对影响吸附的参数进行了优化。在303 K下,最大接触时间为160 min,间歇吸附时BF吸收量为344.82 mg/g,达到平衡。吸附数据与Temkin模型拟合较好,动力学数据符合拟二级模型。热力学参数表明吸附过程是自发的吸热过程。综上所述,该四纳米复合材料制备简单,在保证生物降解性的同时获得了良好的BF吸附性能。
{"title":"An efficient chitosan-based tetra nanocomposite for rapid removal of basic fuchsin from aqueous solution","authors":"Sushma Yadav ,&nbsp;Anupama Asthana ,&nbsp;Jyoti Patel ,&nbsp;Ajaya K. Singh ,&nbsp;S. Sreevidya ,&nbsp;Ravin M. Jugade ,&nbsp;Md. Abu Bin Hasan Susan ,&nbsp;Ranjana Dewangan","doi":"10.1016/j.jics.2025.102320","DOIUrl":"10.1016/j.jics.2025.102320","url":null,"abstract":"<div><div>In this work, Mn-impregnated activated charcoal/Fe<sub>3</sub>O<sub>4</sub>/graphene oxide/chitosantetra nanocomposite (Mn-AC/Fe<sub>3</sub>O<sub>4</sub>/GO/CH) was synthesized by using a simple, facile, and inexpensive method and used as an adsorbent for adsorption of basic fuchsin (BF) from aqueous medium. The adsorbent was prepared in the form of an aerogel. The prepared adsorbent was characterized to study the dimensional-structural features along with morphological characteristics.The parameters influencing adsorption were optimized. The equilibrium was attained when the maximum contact time was 160 min at 303 K with BF uptake of 344.82 mg/g for the batch-adsorption process. A good fit of the adsorption data was noted with Temkin model and kinetic data were consistent with pseudo-second order model. The thermodynamic parameters were suggestive of an endothermic process with spontaneity for the adsorption. Overall, the tetra nanocomposite could be synthesized easily and remarkable performance for BF adsorption was obtained while ensuring biodegradability.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102320"},"PeriodicalIF":3.4,"publicationDate":"2025-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Catalytic wet air oxidation of bentazon herbicide over yttrium oxide nanocomposite coated on recycled polyethylene terephthalate by response surface methodology: kinetic modeling, cost analysis, reaction pathways, and toxicity assessment 响应面法在再生聚对苯二甲酸乙二醇酯包覆的氧化钇纳米复合材料上催化湿空气氧化苯达松除草剂:动力学建模、成本分析、反应途径和毒性评估
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1016/j.jics.2025.102315
Parya Azarhazin , Mehdi Shirzad-Siboni , Azita Mohagheghian
This study investigated how effectively the catalytic wet air oxidation (CWAO) process could remove bentazon from aqueous solution using yttrium oxide (Y2O3) nanoparticles coated with polyethylene terephthalate (PET). The optimization of process conditions was carried out using response surface methodology. To better understand the characteristics of the nanoparticles, their crystal structure, surface functional groups, morphology, and elemental composition were examined through XRD, FTIR, SEM, and EDX-MAP analyses. The degradation rate of bentazon was determined by evaluating several environmental parameters, including pH, initial bentazon concentration, oxygen partial pressure, nanocomposite dosage, time, temperature, cleaning gases, hydrogen peroxide, organic component type, and anion type. Under optimal conditions (pH= 5, [BNZ]0= 10 mg L−1, pressure= 6 bar, nanocomposite dosage= 1.5 g L−1, reaction time= 240 min, and temperature= 70 °C), the Y2O3–PET nanocomposite achieved a bentazon removal efficiency of about 48.01 %. The ANOVA results indicated that the polynomial model was statistically sound, with high adjusted (R2= 0.8443) and predicted (R2= 0.8991) values, confirming its reliability (F-value> 0.001; P-value< 0.0001). Under these conditions, the process achieved a bentazon removal efficiency of 39.98 % in water samples intended for human use. However, the presence of other anionic species slightly hindered the overall performance. The catalyst also showed strong stability, maintaining nearly consistent efficiency across eight successive reuse cycles. Furthermore, the process was shown to be both economically viable and technically comparable to previous CWAO methods. The CWAO/Y2O3–PET system showed an electrical energy per order (EEO) of 0.00097 kWh m−3 and an operating cost (OC) of 0.0149 USD kg−1. GC–MS analysis identified several intermediate compounds formed during the degradation of bentazon through the CWAO process. Furthermore, toxicity tests conducted with Daphnia magna showed a marked reduction in toxicity following bentazon removal using the Y2O3–PET nanocomposite.
本研究研究了用聚对苯二甲酸乙二醇酯(PET)包覆氧化钇(Y2O3)纳米颗粒的催化湿式空气氧化(CWAO)工艺如何有效地去除水溶液中的苯并松。采用响应面法对工艺条件进行了优化。为了更好地了解纳米颗粒的特性,我们通过XRD、FTIR、SEM和EDX-MAP分析了它们的晶体结构、表面官能团、形貌和元素组成。通过评价pH、苯他松初始浓度、氧分压、纳米复合材料用量、时间、温度、清洗气体、过氧化氢、有机组分类型和阴离子类型等环境参数来确定苯他松的降解速率。在最佳条件(pH= 5, [BNZ]0= 10 mg L−1,压力= 6 bar,纳米复合材料用量= 1.5 g L−1,反应时间= 240 min,温度= 70℃)下,Y2O3-PET纳米复合材料对苯达松的去除率约为48.01%。方差分析结果表明,多项式模型在统计上是合理的,具有较高的调整值(R2= 0.8443)和预测值(R2= 0.8991),证实了其可靠性(f值>; 0.001; p值<; 0.0001)。在此条件下,该工艺对人类用水样品的苯达松去除率达到39.98%。然而,其他阴离子的存在稍微阻碍了整体性能。催化剂还显示出很强的稳定性,在连续8次重复使用循环中保持几乎一致的效率。此外,该工艺在经济上是可行的,在技术上与以前的CWAO方法相当。CWAO/ Y2O3-PET体系的每订单电能(EEO)为0.00097 kWh m−3,运行成本(OC)为0.0149 USD kg−1。GC-MS分析鉴定了CWAO降解苯达松过程中形成的几种中间化合物。此外,对大水蚤进行的毒性试验表明,使用Y2O3-PET纳米复合材料去除苯达松后,毒性显著降低。
{"title":"Catalytic wet air oxidation of bentazon herbicide over yttrium oxide nanocomposite coated on recycled polyethylene terephthalate by response surface methodology: kinetic modeling, cost analysis, reaction pathways, and toxicity assessment","authors":"Parya Azarhazin ,&nbsp;Mehdi Shirzad-Siboni ,&nbsp;Azita Mohagheghian","doi":"10.1016/j.jics.2025.102315","DOIUrl":"10.1016/j.jics.2025.102315","url":null,"abstract":"<div><div>This study investigated how effectively the catalytic wet air oxidation (CWAO) process could remove bentazon from aqueous solution using yttrium oxide (Y<sub>2</sub>O<sub>3</sub>) nanoparticles coated with polyethylene terephthalate (PET). The optimization of process conditions was carried out using response surface methodology. To better understand the characteristics of the nanoparticles, their crystal structure, surface functional groups, morphology, and elemental composition were examined through XRD, FTIR, SEM, and EDX-MAP analyses. The degradation rate of bentazon was determined by evaluating several environmental parameters, including pH, initial bentazon concentration, oxygen partial pressure, nanocomposite dosage, time, temperature, cleaning gases, hydrogen peroxide, organic component type, and anion type. Under optimal conditions (pH= 5, [BNZ]<sub>0</sub>= 10 mg L<sup>−1</sup>, pressure= 6 bar, nanocomposite dosage= 1.5 g L<sup>−1</sup>, reaction time= 240 min, and temperature= 70 °C), the Y<sub>2</sub>O<sub>3</sub>–PET nanocomposite achieved a bentazon removal efficiency of about 48.01 %. The ANOVA results indicated that the polynomial model was statistically sound, with high adjusted (R<sup>2</sup>= 0.8443) and predicted (R<sup>2</sup>= 0.8991) values, confirming its reliability (F-value&gt; 0.001; P-value&lt; 0.0001). Under these conditions, the process achieved a bentazon removal efficiency of 39.98 % in water samples intended for human use. However, the presence of other anionic species slightly hindered the overall performance. The catalyst also showed strong stability, maintaining nearly consistent efficiency across eight successive reuse cycles. Furthermore, the process was shown to be both economically viable and technically comparable to previous CWAO methods. The CWAO/Y<sub>2</sub>O<sub>3</sub>–PET system showed an electrical energy per order (EEO) of 0.00097 kWh m<sup>−3</sup> and an operating cost (OC) of 0.0149 USD kg<sup>−1</sup>. GC–MS analysis identified several intermediate compounds formed during the degradation of bentazon through the CWAO process. Furthermore, toxicity tests conducted with <em>Daphnia magna</em> showed a marked reduction in toxicity following bentazon removal using the Y<sub>2</sub>O<sub>3</sub>–PET nanocomposite.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102315"},"PeriodicalIF":3.4,"publicationDate":"2025-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Stutzerimonas stutzeri- A potential candidate for the bioremediation of fried cooking oil waste Stutzerimonas stutzeri-一种潜在的烹调废油生物修复候选菌
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-27 DOI: 10.1016/j.jics.2025.102307
Chaithra J. Rai , Bharathi Prakash , Karthika Shetty , Srihari M. Subhodha , Sunita Salunke-Gawali , Geetha N , Sumangala C H , Arjun Sunil Rao
This study explores the bioremediation potential of bacterial isolates derived from soils contaminated with fried palm olein oil. Molecular identification of isolates from fifteen soil samples revealed the presence of Stutzerimonas stutzeri, Bacillus licheniformis, Paracoccus sp., Acinetobacter baumannii, and Enterobacter hormaechei. Biofilm-forming capabilities were assessed using the tube adherence test and microtitre plate assay, with biofilm visualization conducted via fluorescent staining on coverslips. The isolates' capacity to degrade Fried Cooking Oil (FCO) was evaluated using emulsification index (EI24 %), gravimetric analysis, lipase activity assays, and Fourier Transform Infrared Spectroscopy (FTIR). Stutzerimonas stutzeri demonstrated the highest emulsification activity (EI24 % = 55.55 %) and oil degradation efficiency (76.74 %) in gravimetric analysis. The strong biofilm formation observed contributed to the degradation efficiency. FTIR analysis showed minimal alterations in FCO functional groups post-treatment. Oil degradation was found to be independent of the Gram nature of the isolates. These findings underscore the potential of Stutzerimonas stutzeri in developing eco-friendly strategies for the bioremediation of FCO-contaminated environments.
本研究探讨了从被油炸棕榈油污染的土壤中分离出的细菌的生物修复潜力。从15份土壤样品中分离得到的分离物分子鉴定结果显示,存在施图茨单胞菌、地衣芽孢杆菌、副球菌、鲍曼不动杆菌和贺氏肠杆菌。生物膜形成能力通过试管粘附试验和微滴板试验进行评估,生物膜通过盖子上的荧光染色进行可视化。采用乳化指数(ei24%)、重量分析、脂肪酶活性测定和傅里叶变换红外光谱(FTIR)对分离物降解油炸食用油(FCO)的能力进行评价。Stutzerimonas stutzeri在重量分析中表现出最高的乳化活性(ei24% = 55.55%)和油降解效率(76.74%)。观察到的强生物膜形成有助于降解效率。FTIR分析显示治疗后FCO官能团的变化很小。发现油的降解与菌株的革兰氏性质无关。这些发现强调了Stutzerimonas stutzeri在制定fco污染环境的生物修复生态策略方面的潜力。
{"title":"Stutzerimonas stutzeri- A potential candidate for the bioremediation of fried cooking oil waste","authors":"Chaithra J. Rai ,&nbsp;Bharathi Prakash ,&nbsp;Karthika Shetty ,&nbsp;Srihari M. Subhodha ,&nbsp;Sunita Salunke-Gawali ,&nbsp;Geetha N ,&nbsp;Sumangala C H ,&nbsp;Arjun Sunil Rao","doi":"10.1016/j.jics.2025.102307","DOIUrl":"10.1016/j.jics.2025.102307","url":null,"abstract":"<div><div>This study explores the bioremediation potential of bacterial isolates derived from soils contaminated with fried palm olein oil. Molecular identification of isolates from fifteen soil samples revealed the presence of <em>Stutzerimonas stutzeri</em>, <em>Bacillus licheniformis</em>, <em>Paracoccus</em> sp., <em>Acinetobacter baumannii</em>, and <em>Enterobacter hormaechei</em>. Biofilm-forming capabilities were assessed using the tube adherence test and microtitre plate assay, with biofilm visualization conducted via fluorescent staining on coverslips. The isolates' capacity to degrade Fried Cooking Oil (FCO) was evaluated using emulsification index (EI24 %), gravimetric analysis, lipase activity assays, and Fourier Transform Infrared Spectroscopy (FTIR). <em>Stutzerimonas stutzeri</em> demonstrated the highest emulsification activity (EI24 % = 55.55 %) and oil degradation efficiency (76.74 %) in gravimetric analysis. The strong biofilm formation observed contributed to the degradation efficiency. FTIR analysis showed minimal alterations in FCO functional groups post-treatment. Oil degradation was found to be independent of the Gram nature of the isolates. These findings underscore the potential of <em>Stutzerimonas stutzeri</em> in developing eco-friendly strategies for the bioremediation of FCO-contaminated environments.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102307"},"PeriodicalIF":3.4,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145665490","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Internal acceptor engineering in phenothiazine-based organic dyes for dye-sensitized solar cells: A DFT/TDDFT study of electronic structure, optical response, and photovoltaic performance 染料敏化太阳能电池用吩噻嗪基有机染料的内受体工程:电子结构、光学响应和光伏性能的DFT/TDDFT研究
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-19 DOI: 10.1016/j.jics.2025.102280
Brahim Hachlaf , Usman Ali , Omar Britel , Hafsa El-Idrissi , Sana Abbas , Anouar Ameziane El Hassani , Adil Touimi Benjelloun , Mohamed El-Maazawi , Taoufiq Saffaj
A series of novel D-π1-IAi-π2-EA phenothiazine-based organic dyes (IA1-IA9) was rationally designed by modifying the internal acceptor unit of the reference dye AD6 in order to enhance the optoelectronic properties and photovoltaic performance of dye-sensitized solar cells. Theoretical investigations using DFT and TD-DFT levels were conducted to explore molecular geometry, frontier molecular orbitals, light-harvesting efficiency (LHE), and the enhancement of the electronic absorption wavelength range. Among the designed dyes, IA5 exhibited a significantly reduced energy gap to 1.48eV compared to AD6's 1.66 eV. It also improved the maximum absorption wavelength from 632.67 nm to 793.29 nm. Photovoltaic modeling predicted a short-circuit current density (Jscpre) of 40.63 mA/cm2, open-circuit voltage (VOCpre) of 0.774 V, fill factor (FFpre) of 85.8 %, and power conversion efficiency (ηpre) of 26.89 % for IA5. This represents a significant improvement over AD6 (ηpre = 15.01 %). These findings suggest that the internal acceptor engineering is a promising approach for designing high-performance metal-free dyes for next-generation DSSCs.
为了提高染料敏化太阳能电池的光电性能和光伏性能,通过对参考染料AD6的内部受体单元进行修饰,合理设计了一系列新型的D-π - 1- iai -π - 2- ea吩噻嗪基有机染料(IA1-IA9)。利用DFT和TD-DFT水平进行了理论研究,探讨了分子几何结构、前沿分子轨道、光捕获效率(LHE)和电子吸收波长范围的增强。在所设计的染料中,IA5的能隙明显减小到1.48eV,而AD6的能隙为1.66 eV。最大吸收波长由632.67 nm提高到793.29 nm。光伏模型预测,IA5的短路电流密度(Jscpre)为40.63 mA/cm2,开路电压(VOCpre)为0.774 V,填充系数(FFpre)为85.8%,功率转换效率(ηpre)为26.89%。这与AD6相比有显著改善(η预值= 15.01%)。这些发现表明,内部受体工程是设计下一代DSSCs高性能无金属染料的一种很有前途的方法。
{"title":"Internal acceptor engineering in phenothiazine-based organic dyes for dye-sensitized solar cells: A DFT/TDDFT study of electronic structure, optical response, and photovoltaic performance","authors":"Brahim Hachlaf ,&nbsp;Usman Ali ,&nbsp;Omar Britel ,&nbsp;Hafsa El-Idrissi ,&nbsp;Sana Abbas ,&nbsp;Anouar Ameziane El Hassani ,&nbsp;Adil Touimi Benjelloun ,&nbsp;Mohamed El-Maazawi ,&nbsp;Taoufiq Saffaj","doi":"10.1016/j.jics.2025.102280","DOIUrl":"10.1016/j.jics.2025.102280","url":null,"abstract":"<div><div>A series of novel D-π<sub>1</sub>-IAi-π<sub>2</sub>-EA phenothiazine-based organic dyes (IA1-IA9) was rationally designed by modifying the internal acceptor unit of the reference dye AD6 in order to enhance the optoelectronic properties and photovoltaic performance of dye-sensitized solar cells. Theoretical investigations using DFT and TD-DFT levels were conducted to explore molecular geometry, frontier molecular orbitals, light-harvesting efficiency (LHE), and the enhancement of the electronic absorption wavelength range. Among the designed dyes, IA5 exhibited a significantly reduced energy gap to 1.48eV compared to AD6's 1.66 eV. It also improved the maximum absorption wavelength from 632.67 nm to 793.29 nm. Photovoltaic modeling predicted a short-circuit current density (<span><math><mrow><msubsup><mi>J</mi><mrow><mi>s</mi><mi>c</mi></mrow><mrow><mi>p</mi><mi>r</mi><mi>e</mi></mrow></msubsup></mrow></math></span>) of 40.63 mA/cm<sup>2</sup>, open-circuit voltage (<span><math><mrow><msubsup><mi>V</mi><mrow><mi>O</mi><mi>C</mi></mrow><mrow><mi>p</mi><mi>r</mi><mi>e</mi></mrow></msubsup></mrow></math></span>) of 0.774 V, fill factor (<span><math><mrow><msup><mrow><mi>F</mi><mi>F</mi></mrow><mrow><mi>p</mi><mi>r</mi><mi>e</mi></mrow></msup></mrow></math></span>) of 85.8 %, and power conversion efficiency (<span><math><mrow><msup><mi>η</mi><mrow><mi>p</mi><mi>r</mi><mi>e</mi></mrow></msup></mrow></math></span>) of 26.89 % for IA5. This represents a significant improvement over AD6 (<span><math><mrow><msup><mi>η</mi><mrow><mi>p</mi><mi>r</mi><mi>e</mi></mrow></msup></mrow></math></span> = 15.01 %). These findings suggest that the internal acceptor engineering is a promising approach for designing high-performance metal-free dyes for next-generation DSSCs.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 12","pages":"Article 102280"},"PeriodicalIF":3.4,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Water-soluble thiazolidine-2,4-diones salt for selective chemosensors of toxic metals 用于有毒金属选择性化学传感器的水溶性噻唑烷-2,4-二酮盐
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-19 DOI: 10.1016/j.jics.2025.102299
Hani Nasser Abdelhamid , Faisal K. Algethami , Hussein El-Kashef
The presence of highly toxic contaminants, particularly heavy metal ions such as lead (Pb2+) and cadmium (Cd2+), in the environment, even at trace levels — poses significant health risks to humans. Consequently, numerous organic compounds have been reported for the detection of these analytes. Nonetheless, countless organic conjugated scaffolds exhibit inadequate solubility in water, thereby limiting their utility. This work introduced a highly water-soluble organic derivative of 1,3-thiazolidine-2,4-diones for the selective detection of Pb2+ and Cd2+ in aqueous solutions. Straightforward methods produced the organic probe of 1,3-thiazolidine-2,4-dione derivatives. The potassium salt was synthesized by reacting 1,3-thiazolidine-2,4-diones with potassium hydroxide, resulting in a highly water-soluble organic compound. Water-insoluble and water-soluble chemicals were examined as fluorescence probes for detecting Pb2+ and Cd2+ ions. 1,3-thiazolidine-2,4-diones exhibit fluorescence emission, whereas potassium 1,3-thiazolidine-2,4-diones salt demonstrates no emission. The solubility of 1,3-thiazolidine-2,4-diones increases at high pH (>5), leading to quenching emission signals. Conversely, the acidic pH enhances the fluorescence emission of potassium 1,3-thiazolidine-2,4-dione salts at low pH values (1–3) due to their reduced solubility. The complexation of the organic probe with the examined heavy metal ions, namely Pb2+ and Cd2+, enables sensitive detection with a limit of detection of 0.1 μM. The detection technique was conducted in an aqueous solution devoid of organic solvents.
环境中存在的剧毒污染物,特别是铅(Pb2+)和镉(Cd2+)等重金属离子,即使是微量含量,也会对人类健康构成重大风险。因此,许多有机化合物已被报道用于检测这些分析物。然而,无数有机共轭支架在水中的溶解度不足,从而限制了它们的应用。本工作介绍了一种高度水溶性的1,3-噻唑烷-2,4-二酮的有机衍生物,用于选择性检测水溶液中的Pb2+和Cd2+。直接的方法产生了1,3-噻唑烷-2,4-二酮衍生物的有机探针。以1,3-噻唑烷-2,4-二酮为原料,与氢氧化钾反应合成了高水溶性有机化合物。水不溶性和水溶性化学物质作为荧光探针检测Pb2+和Cd2+离子。1,3-噻唑烷-2,4-二酮具有荧光发射,而1,3-噻唑烷-2,4-二酮钾盐无荧光发射。在高pH下,1,3-噻唑烷-2,4-二酮的溶解度增加(>5),导致淬灭发射信号。相反,酸性pH值增强了1,3-噻唑烷-2,4-二酮钾盐在低pH值下的荧光发射(1 - 3),因为它们的溶解度降低了。有机探针与被测重金属离子(Pb2+和Cd2+)的络合可以实现灵敏度检测,检测限为0.1 μM。检测技术是在无有机溶剂的水溶液中进行的。
{"title":"Water-soluble thiazolidine-2,4-diones salt for selective chemosensors of toxic metals","authors":"Hani Nasser Abdelhamid ,&nbsp;Faisal K. Algethami ,&nbsp;Hussein El-Kashef","doi":"10.1016/j.jics.2025.102299","DOIUrl":"10.1016/j.jics.2025.102299","url":null,"abstract":"<div><div>The presence of highly toxic contaminants, particularly heavy metal ions such as lead (Pb<sup>2+</sup>) and cadmium (Cd<sup>2+</sup>), in the environment, even at trace levels — poses significant health risks to humans. Consequently, numerous organic compounds have been reported for the detection of these analytes. Nonetheless, countless organic conjugated scaffolds exhibit inadequate solubility in water, thereby limiting their utility. This work introduced a highly water-soluble organic derivative of 1,3-thiazolidine-2,4-diones for the selective detection of Pb<sup>2+</sup> and Cd<sup>2+</sup> in aqueous solutions. Straightforward methods produced the organic probe of 1,3-thiazolidine-2,4-dione derivatives. The potassium salt was synthesized by reacting 1,3-thiazolidine-2,4-diones with potassium hydroxide, resulting in a highly water-soluble organic compound. Water-insoluble and water-soluble chemicals were examined as fluorescence probes for detecting Pb<sup>2+</sup> and Cd<sup>2+</sup> ions. 1,3-thiazolidine-2,4-diones exhibit fluorescence emission, whereas potassium 1,3-thiazolidine-2,4-diones salt demonstrates no emission. The solubility of 1,3-thiazolidine-2,4-diones increases at high pH (&gt;5), leading to quenching emission signals. Conversely, the acidic pH enhances the fluorescence emission of potassium 1,3-thiazolidine-2,4-dione salts at low pH values (1–3) due to their reduced solubility. The complexation of the organic probe with the examined heavy metal ions, namely Pb<sup>2+</sup> and Cd<sup>2+</sup>, enables sensitive detection with a limit of detection of 0.1 μM. The detection technique was conducted in an aqueous solution devoid of organic solvents.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 12","pages":"Article 102299"},"PeriodicalIF":3.4,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 production of xylanase and laccase from sawdust grown Ganoderma lucidum for sustainable paper and dye industries 利用灵芝木屑环保生产木聚糖酶和漆酶,用于可持续造纸和染料工业
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-17 DOI: 10.1016/j.jics.2025.102288
Saumya Bharti , Himani Sharma , Sudarshan Sahu , Karan Kapoor , Gursharan Singh , Madhu Khatri , Shailendra Kumar Arya
The research presented in this study focuses on the utilization of lignocellulosic waste, with a specific focus on sawdust, as a valuable resource for enzyme production with subsequent applications in various industrial processes. Sodium hydroxide pretreatment was employed to enhance substrate accessibility reducing the lignin content from 28 % in untreated sawdust to 25 % after treatment. The optimization of xylanase and laccase production by Ganoderma lucidum was explored, yielding activities of 2.43 U/ml and 2.96 U/ml, respectively. Optimal enzyme activity was achieved at pH 7 and 55 °C for xylanase and pH 5 and 40 °C for laccase. Characterization of the substrate was performed using FESEM and XRD analysis. The produced enzymes demonstrated significant industrial applicability, including efficient delignification of newspaper pulp and decolorization of indigo carmine dye. Specifically, enzymatic treatment improved the brightness and whiteness of newspaper pulp by 24.5 % and 372.9 %, respectively, while achieving 72.54 % dye decolorization within 7 h of incubation. These results underscore the potential of Ganoderma lucidum as a sustainable biocatalyst platform, leveraging agricultural waste as a renewable substrate. In relation to previous studies, the observed enzymatic activities and their efficiency in delignification and dye decolorization demonstrate an enhanced biocatalytic potential. These findings highlight its viability as an alternative to conventional chemical methods, offering a more sustainable and eco-friendly solution for biobleaching and wastewater treatment, thereby addressing the critical demand for environmentally responsible processes across diverse sectors.
本研究的重点是木质纤维素废物的利用,特别是锯末,作为酶生产的宝贵资源,随后在各种工业过程中得到应用。采用氢氧化钠预处理可提高底物可及性,使木质素含量从未处理木屑的28%降至处理后的25%。对灵芝产木聚糖酶和漆酶的工艺条件进行了优化,其产酶活性分别为2.43 U/ml和2.96 U/ml。木聚糖酶在pH为7和55℃时酶活性最佳,漆酶在pH为5和40℃时酶活性最佳。利用FESEM和XRD分析对基体进行了表征。所产生的酶具有显著的工业适用性,包括报纸纸浆的高效脱木质素和靛蓝胭脂红染料的脱色。具体来说,酶处理使报纸纸浆的亮度和白度分别提高了24.5%和372.9%,在培养7 h内染料脱色率达到72.54%。这些结果强调了灵芝作为可持续生物催化剂平台的潜力,利用农业废弃物作为可再生基质。与先前的研究相比,观察到的酶活性及其在脱木质素和染料脱色方面的效率显示出增强的生物催化潜力。这些发现强调了其作为传统化学方法替代方案的可行性,为生物漂白和废水处理提供了更可持续和更环保的解决方案,从而满足了不同行业对环境负责任工艺的关键需求。
{"title":"Eco-friendly production of xylanase and laccase from sawdust grown Ganoderma lucidum for sustainable paper and dye industries","authors":"Saumya Bharti ,&nbsp;Himani Sharma ,&nbsp;Sudarshan Sahu ,&nbsp;Karan Kapoor ,&nbsp;Gursharan Singh ,&nbsp;Madhu Khatri ,&nbsp;Shailendra Kumar Arya","doi":"10.1016/j.jics.2025.102288","DOIUrl":"10.1016/j.jics.2025.102288","url":null,"abstract":"<div><div>The research presented in this study focuses on the utilization of lignocellulosic waste, with a specific focus on sawdust, as a valuable resource for enzyme production with subsequent applications in various industrial processes. Sodium hydroxide pretreatment was employed to enhance substrate accessibility reducing the lignin content from 28 % in untreated sawdust to 25 % after treatment. The optimization of xylanase and laccase production by <em>Ganoderma lucidum</em> was explored, yielding activities of 2.43 U/ml and 2.96 U/ml, respectively. Optimal enzyme activity was achieved at pH 7 and 55 °C for xylanase and pH 5 and 40 °C for laccase. Characterization of the substrate was performed using FESEM and XRD analysis. The produced enzymes demonstrated significant industrial applicability, including efficient delignification of newspaper pulp and decolorization of indigo carmine dye. Specifically, enzymatic treatment improved the brightness and whiteness of newspaper pulp by 24.5 % and 372.9 %, respectively, while achieving 72.54 % dye decolorization within 7 h of incubation. These results underscore the potential of <em>Ganoderma lucidum</em> as a sustainable biocatalyst platform, leveraging agricultural waste as a renewable substrate. In relation to previous studies, the observed enzymatic activities and their efficiency in delignification and dye decolorization demonstrate an enhanced biocatalytic potential. These findings highlight its viability as an alternative to conventional chemical methods, offering a more sustainable and eco-friendly solution for biobleaching and wastewater treatment, thereby addressing the critical demand for environmentally responsible processes across diverse sectors.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 12","pages":"Article 102288"},"PeriodicalIF":3.4,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 characterization of Al/ZnO-rGO/CuO/Cu heterojunction solar cell via FR4 substrate oxidation FR4衬底氧化制备Al/ZnO-rGO/CuO/Cu异质结太阳能电池及表征
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-17 DOI: 10.1016/j.jics.2025.102298
Rimpi Gogoi , Geetartha Sarma , Honey Brahma , Rewrewa Narzary , Partha P. Sahu
This article present a low cost fabrication of zinc oxide–reduced graphene oxide/copper oxide (Al/ZnO-rGO/CuO/Cu) heterojunction solar cell, using a simple and efficient a low-temperature solution-based process. Graphene oxide (GO) synthesized through modified Hummers' method was thermally reduced to obtain reduced graphene oxide (rGO). Zinc oxide nanoparticles (ZnO) were combined with rGO to form a ZnO-rGO composite, subsequently deposited onto a chemically oxidized FR4 substrate (CuO) employing a simple and efficient spin casting method to construct the heterojunction. Detailed characterization techniques, including XRD, FTIR, Raman spectroscopy, FESEM, and EDX, confirmed the successful fabrication and structural integrity of the composite. The solar cell demonstrated a power conversion efficiency of 4.09 %, with a short-circuit current density (Jsc) of 14.12 mA/cm2, open-circuit voltage (Voc) of 0.4203 V, and fill factor (FF) of 41.4 %. These results highlight the viability of Al/ZnO–rGO/CuO/Cu based heterojunction architectures as efficient, eco-friendly, and cost-effective alternatives to traditional photovoltaic devices, which are expensive, require very high processing temperatures, and involve complex fabrication requirements. This demonstrates their potential to replace silicon-based photovoltaics, which pose environmental pollution concerns.
本文采用一种简单高效的低温溶液法制备了氧化锌-还原氧化石墨烯/氧化铜(Al/ZnO-rGO/CuO/Cu)异质结太阳能电池。对改进Hummers方法合成的氧化石墨烯(GO)进行热还原,得到还原氧化石墨烯(rGO)。将氧化锌纳米粒子(ZnO)与氧化还原石墨烯(rGO)结合形成ZnO-rGO复合材料,然后采用简单高效的自旋铸造方法将其沉积在化学氧化的FR4衬底(CuO)上以构建异质结。详细的表征技术,包括XRD, FTIR,拉曼光谱,FESEM和EDX,证实了复合材料的成功制造和结构完整性。该电池的功率转换效率为4.09%,短路电流密度(Jsc)为14.12 mA/cm2,开路电压(Voc)为0.4203 V,填充系数(FF)为41.4%。这些结果强调了基于Al/ ZnO-rGO /CuO/Cu的异质结架构作为高效,环保和经济的传统光伏器件的替代品的可行性,传统光伏器件价格昂贵,需要非常高的加工温度,并且涉及复杂的制造要求。这证明了它们取代硅基光伏电池的潜力,硅基光伏电池会造成环境污染。
{"title":"Fabrication and characterization of Al/ZnO-rGO/CuO/Cu heterojunction solar cell via FR4 substrate oxidation","authors":"Rimpi Gogoi ,&nbsp;Geetartha Sarma ,&nbsp;Honey Brahma ,&nbsp;Rewrewa Narzary ,&nbsp;Partha P. Sahu","doi":"10.1016/j.jics.2025.102298","DOIUrl":"10.1016/j.jics.2025.102298","url":null,"abstract":"<div><div>This article present a low cost fabrication of zinc oxide–reduced graphene oxide/copper oxide (Al/ZnO-rGO/CuO/Cu) heterojunction solar cell, using a simple and efficient a low-temperature solution-based process. Graphene oxide (GO) synthesized through modified Hummers' method was thermally reduced to obtain reduced graphene oxide (rGO). Zinc oxide nanoparticles (ZnO) were combined with rGO to form a ZnO-rGO composite, subsequently deposited onto a chemically oxidized FR4 substrate (CuO) employing a simple and efficient spin casting method to construct the heterojunction. Detailed characterization techniques, including XRD, FTIR, Raman spectroscopy, FESEM, and EDX, confirmed the successful fabrication and structural integrity of the composite. The solar cell demonstrated a power conversion efficiency of 4.09 %, with a short-circuit current density (Jsc) of 14.12 mA/cm<sup>2</sup>, open-circuit voltage (Voc) of 0.4203 V, and fill factor (FF) of 41.4 %. These results highlight the viability of Al/ZnO–rGO/CuO/Cu based heterojunction architectures as efficient, eco-friendly, and cost-effective alternatives to traditional photovoltaic devices, which are expensive, require very high processing temperatures, and involve complex fabrication requirements. This demonstrates their potential to replace silicon-based photovoltaics, which pose environmental pollution concerns.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 12","pages":"Article 102298"},"PeriodicalIF":3.4,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576953","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Coal fly ash derived SBA-15 supported Co/Fe catalysts for Fischer-Tropsch synthesis 粉煤灰衍生SBA-15负载Co/Fe费托合成催化剂
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-17 DOI: 10.1016/j.jics.2025.102289
Pavan K. Gupta , Vineet Kumar , Sudip Maity , Sumit Kamal , Rajaram Bal
This research article investigates the conversion of syngas (CO + H2) using Zr/Ru-promoted Co–Fe-based Fischer–Tropsch catalysts supported on SBA–15 mesoporous silica synthesized from coal fly ash (CFA). The support and catalysts are characterized using X-ray Diffraction (XRD), H2–Temperature Programmed Reduction (H2-TPR), Energy Dispersive X-ray Spectroscopy (EDX), and High-Resolution Transmission Electron Microscopy (HRTEM). The main surface phases are identified as Co3O4 and Fe2O3 for Co-rich and Fe-rich bimetallic catalysts, respectively. Catalyst performance is evaluated in a fixed-bed tubular reactor under conditions of syngas (H2/CO ∼ 2:1) at 220 °C, 30 bar pressure, and a gas hourly space velocity (GHSV) of 500 h−1 for hydrocarbon synthesis. The Zr–Ru promoted Co-based catalyst achieves a higher CO conversion of 80.3 %, while the Zr–Ru promoted Co-rich bimetallic catalyst demonstrates superior selectivity (∼88.7 %) for liquid hydrocarbons (C5+). Catalyst stability is assessed through analysis of CO conversion over time, and spent catalysts are further characterized by XRD to understand phase changes during the course of reaction.
本文研究了由粉煤灰(CFA)合成的SBA-15介孔二氧化硅负载的Zr/ ru促进CO - fe基费托催化剂对合成气(CO + H2)的转化。采用x射线衍射(XRD)、h2 -温度程序还原(H2-TPR)、能量色散x射线能谱(EDX)和高分辨率透射电子显微镜(HRTEM)对载体和催化剂进行了表征。富co和富fe双金属催化剂的主要表面相分别为Co3O4和Fe2O3。在固定床管式反应器中,在220°C、30 bar压力和500 h - 1的气体空速(GHSV)条件下,在合成气(H2/CO ~ 2:1)条件下评估催化剂的性能。Zr-Ru促进的CO基催化剂对液态烃(C5+)的选择性更高,达到80.3%,而Zr-Ru促进的富CO双金属催化剂对液态烃(C5+)的选择性更高(~ 88.7%)。通过分析CO随时间的转化来评估催化剂的稳定性,并用XRD进一步表征废催化剂,了解反应过程中的相变化。
{"title":"Coal fly ash derived SBA-15 supported Co/Fe catalysts for Fischer-Tropsch synthesis","authors":"Pavan K. Gupta ,&nbsp;Vineet Kumar ,&nbsp;Sudip Maity ,&nbsp;Sumit Kamal ,&nbsp;Rajaram Bal","doi":"10.1016/j.jics.2025.102289","DOIUrl":"10.1016/j.jics.2025.102289","url":null,"abstract":"<div><div>This research article investigates the conversion of syngas (CO + H<sub>2</sub>) using Zr/Ru-promoted Co–Fe-based Fischer–Tropsch catalysts supported on SBA–15 mesoporous silica synthesized from coal fly ash (CFA). The support and catalysts are characterized using X-ray Diffraction (XRD), H<sub>2</sub>–Temperature Programmed Reduction (H<sub>2</sub>-TPR), Energy Dispersive X-ray Spectroscopy (EDX), and High-Resolution Transmission Electron Microscopy (HRTEM). The main surface phases are identified as Co<sub>3</sub>O<sub>4</sub> and Fe<sub>2</sub>O<sub>3</sub> for Co-rich and Fe-rich bimetallic catalysts, respectively. Catalyst performance is evaluated in a fixed-bed tubular reactor under conditions of syngas (H<sub>2</sub>/CO ∼ 2:1) at 220 °C, 30 bar pressure, and a gas hourly space velocity (GHSV) of 500 h<sup>−1</sup> for hydrocarbon synthesis. The Zr–Ru promoted Co-based catalyst achieves a higher CO conversion of 80.3 %, while the Zr–Ru promoted Co-rich bimetallic catalyst demonstrates superior selectivity (∼88.7 %) for liquid hydrocarbons (C<sub>5+</sub>). Catalyst stability is assessed through analysis of CO conversion over time, and spent catalysts are further characterized by XRD to understand phase changes during the course of reaction.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 12","pages":"Article 102289"},"PeriodicalIF":3.4,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Comparative study on phase evolution and densification of cordierite ceramics synthesized via sol-gel and semi-colloidal routes 溶胶-凝胶和半胶体制备堇青石陶瓷的相演化和致密化比较研究
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-17 DOI: 10.1016/j.jics.2025.102297
Debjyoti Ray , Nelson Kandulna , Adarsha Maji
Cordierite ceramics are valued for their low thermal expansion, high thermal stability, and excellent thermal shock resistance. However, achieving full densification within their narrow sintering window remains a major challenge. This study comparatively investigates the phase evolution, densification, and thermo-mechanical properties of cordierite ceramics synthesized via semi-colloidal and sol–gel routes. In the semi-colloidal method, naturally occurring kaolinitic clay and precipitated silica were used with magnesium nitrate, while the sol–gel route employed magnesium and aluminium nitrates with colloidal silica to ensure nanoscale homogeneity. Thermal (TG-DSC) and spectroscopic (SEM) techniques were employed to analyse both the synthesized precursor powder. The microstructure and phase composition of the sintered compacts were analyzed using Field Emission Scanning Electron Microscopy (FE–SEM) and X-ray Diffraction (XRD), while their density, porosity, mechanical strength, and thermal expansion were also evaluated. TG–DSC and XRD analyses revealed distinct crystallization mechanisms: μ-cordierite formed around 973 °C in the semi-colloidal route and transformed to α-cordierite (indialite) at 1115 °C, whereas the sol–gel route involved Mg–Al spinel formation prior to α-cordierite crystallization at 1142 °C. The sol–gel derived sample achieved a high bulk density of 2.41 g/cm3 (≈95.6 % relative density) and modulus of elasticity of 88 GPa, whereas the semi-colloidal sample exhibited lower density (2.13 g/cm3) but a significantly lower thermal expansion coefficient (2.19 × 10−6 °C−1), indicating better thermal shock resistance. This study establishes the semi-colloidal route as a sustainable and energy-efficient alternative to sol–gel synthesis for producing thermally stable cordierite ceramics using cost-effective natural raw materials.
堇青石陶瓷因其低热膨胀、高热稳定性和优异的抗热震性而受到重视。然而,在其狭窄的烧结窗口内实现完全致密化仍然是一个主要挑战。本研究对比研究了半胶体和溶胶-凝胶制备堇青石陶瓷的相演化、致密化和热力学性能。在半胶体法中,天然高岭石粘土和沉淀二氧化硅与硝酸镁一起使用,而溶胶-凝胶法中,硝酸镁和硝酸铝与胶体二氧化硅一起使用,以确保纳米级的均匀性。采用热热(TG-DSC)和光谱(SEM)技术对合成的前驱体粉末进行了分析。采用场发射扫描电镜(FE-SEM)和x射线衍射仪(XRD)分析了烧结坯的微观结构和物相组成,并对烧结坯的密度、孔隙率、机械强度和热膨胀率进行了表征。TG-DSC和XRD分析显示了不同的结晶机制:μ-堇青石在973℃左右以半胶体方式形成,在1115℃时转变为α-堇青石(indialite),而溶胶-凝胶方式在1142℃时形成Mg-Al尖晶石,然后形成α-堇青石结晶。溶胶-凝胶衍生的样品获得了2.41 g/cm3(≈95.6%相对密度)的高容重和88 GPa的弹性模量,而半胶体样品的密度较低(2.13 g/cm3),但热膨胀系数显著降低(2.19 × 10−6°C−1),表明更好的抗热震性。本研究建立了半胶体路线作为溶胶-凝胶合成的可持续和节能的替代方法,使用具有成本效益的天然原料生产热稳定的堇青石陶瓷。
{"title":"Comparative study on phase evolution and densification of cordierite ceramics synthesized via sol-gel and semi-colloidal routes","authors":"Debjyoti Ray ,&nbsp;Nelson Kandulna ,&nbsp;Adarsha Maji","doi":"10.1016/j.jics.2025.102297","DOIUrl":"10.1016/j.jics.2025.102297","url":null,"abstract":"<div><div>Cordierite ceramics are valued for their low thermal expansion, high thermal stability, and excellent thermal shock resistance. However, achieving full densification within their narrow sintering window remains a major challenge. This study comparatively investigates the phase evolution, densification, and thermo-mechanical properties of cordierite ceramics synthesized via semi-colloidal and sol–gel routes. In the semi-colloidal method, naturally occurring kaolinitic clay and precipitated silica were used with magnesium nitrate, while the sol–gel route employed magnesium and aluminium nitrates with colloidal silica to ensure nanoscale homogeneity. Thermal (TG-DSC) and spectroscopic (SEM) techniques were employed to analyse both the synthesized precursor powder. The microstructure and phase composition of the sintered compacts were analyzed using Field Emission Scanning Electron Microscopy (FE–SEM) and X-ray Diffraction (XRD), while their density, porosity, mechanical strength, and thermal expansion were also evaluated. TG–DSC and XRD analyses revealed distinct crystallization mechanisms: μ-cordierite formed around 973 °C in the semi-colloidal route and transformed to α-cordierite (indialite) at 1115 °C, whereas the sol–gel route involved Mg–Al spinel formation prior to α-cordierite crystallization at 1142 °C. The sol–gel derived sample achieved a high bulk density of 2.41 g/cm<sup>3</sup> (≈95.6 % relative density) and modulus of elasticity of 88 GPa, whereas the semi-colloidal sample exhibited lower density (2.13 g/cm<sup>3</sup>) but a significantly lower thermal expansion coefficient (2.19 × 10<sup>−6</sup> °C<sup>−1</sup>), indicating better thermal shock resistance. This study establishes the semi-colloidal route as a sustainable and energy-efficient alternative to sol–gel synthesis for producing thermally stable cordierite ceramics using cost-effective natural raw materials.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 12","pages":"Article 102297"},"PeriodicalIF":3.4,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
期刊
Journal of the Indian Chemical Society
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1