Pub Date : 2024-10-18DOI: 10.1016/j.jics.2024.101440
Sana Munir , Imran Shakir , Mamoona Anwar , Hala M. Abo-Dief , Mirza Mahmood Baig , Khamael M. Abualnaja , Muhammad Farooq Warsi , Zeinhom M. El-Bahy
The widespread applications of vanadium pentoxide (V2O5) are limited because of its low electrical conductivity and restricted ion diffusion coefficient. To address these constraints, the present study includes a straightforward and effective approach for fabricating polyaniline based silver-decorated vanadium pentoxide (Ag–V2O5/PANi) as an electrode material. The structural and morphological investigation of prepared electrode materials were made by X-ray diffraction analysis and scanning electron microscopy respectively. In comparison to pure Ag–V2O5, the Ag–V2O5/PANi composite demonstrated enhanced performance in various aspects. Specifically, the Ag–V2O5/PANi showed a higher specific capacitance (628 Fg−1) when subjected to a current density (1 Ag−1) in KOH electrolyte. Additionally, it has an energy density of 153 Whkg−1. Furthermore, the Ag–V2O5/PANi composite exhibited superior stability even after undergoing 3000 charge to discharge cycles. Exceptional capabilities shown can be ascribed to synergistic interaction between PANi and Ag–V2O5. The remarkable outcomes obtained from these electrode materials have the potential to foster novel prospects in high-energy-density storage systems.
{"title":"An insight into synergistic effect of polyaniline and noble metal (Ag) on vanadium pentoxide nanorods for enhanced energe storage performance","authors":"Sana Munir , Imran Shakir , Mamoona Anwar , Hala M. Abo-Dief , Mirza Mahmood Baig , Khamael M. Abualnaja , Muhammad Farooq Warsi , Zeinhom M. El-Bahy","doi":"10.1016/j.jics.2024.101440","DOIUrl":"10.1016/j.jics.2024.101440","url":null,"abstract":"<div><div>The widespread applications of vanadium pentoxide (V<sub>2</sub>O<sub>5</sub>) are limited because of its low electrical conductivity and restricted ion diffusion coefficient. To address these constraints, the present study includes a straightforward and effective approach for fabricating polyaniline based silver-decorated vanadium pentoxide (Ag–V<sub>2</sub>O<sub>5</sub>/PANi) as an electrode material. The structural and morphological investigation of prepared electrode materials were made by X-ray diffraction analysis and scanning electron microscopy respectively. In comparison to pure Ag–V<sub>2</sub>O<sub>5</sub>, the Ag–V<sub>2</sub>O<sub>5</sub>/PANi composite demonstrated enhanced performance in various aspects. Specifically, the Ag–V<sub>2</sub>O<sub>5</sub>/PANi showed a higher specific capacitance (628 Fg<sup>−1</sup>) when subjected to a current density (1 Ag<sup>−1</sup>) in KOH electrolyte. Additionally, it has an energy density of 153 Whkg<sup>−1</sup>. Furthermore, the Ag–V<sub>2</sub>O<sub>5</sub>/PANi composite exhibited superior stability even after undergoing 3000 charge to discharge cycles. Exceptional capabilities shown can be ascribed to synergistic interaction between PANi and Ag–V<sub>2</sub>O<sub>5</sub>. The remarkable outcomes obtained from these electrode materials have the potential to foster novel prospects in high-energy-density storage systems.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 11","pages":"Article 101440"},"PeriodicalIF":3.2,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538122","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}
Humidity sensors, being an important component of the Internet of Things (IoT) and artificial intelligence (AI), are currently used in noncontact sensing, electronic skin, respiratory analysis, etc. In this study, the sol-gel auto-combustion technique was used to prepare strontium-doped zinc ferrite (ZnFe2O4) nanomaterials. The synthesized materials have been characterized using Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction (PXRD), energy dispersive X-ray (EDX), and field emission scanning electron microscopy (FESEM) techniques. The doping of strontium increases the lattice parameter and reduces the crystallite size. The synthesized nanoparticles were used to design a humidity sensor for the first time, and several humidity-sensing properties were investigated. The designed humidity sensor has a response and recovery times of 19 s and 81 s, respectively. It has low humidity hysteresis, excellent repeatability, and a minute ageing effect.
A comparison of the present study with previous reports suggests that the developed humidity sensor is promising in terms of recovery, response times, and material.
湿度传感器是物联网（IoT）和人工智能（AI）的重要组成部分，目前主要用于非接触传感、电子皮肤、呼吸分析等领域。本研究采用溶胶-凝胶自动燃烧技术制备了掺锶锌铁氧体（ZnFe2O4）纳米材料。利用傅立叶变换红外光谱（FTIR）、粉末 X 射线衍射（PXRD）、能量色散 X 射线（EDX）和场发射扫描电子显微镜（FESEM）技术对合成材料进行了表征。锶的掺杂增加了晶格参数，减小了晶粒尺寸。首次利用合成的纳米粒子设计了湿度传感器，并研究了其多种湿度传感特性。所设计的湿度传感器的响应时间和恢复时间分别为 19 秒和 81 秒。本研究与以往报告的比较表明，所开发的湿度传感器在恢复时间、响应时间和材料方面都很有前景。
{"title":"Synthesis and application of strontium-doped zinc ferrite nanomaterial in humidity sensing","authors":"Prabhat Ranjan Tiwari , Rahul Pratap Singh , Keval Bharati , Avinash Chand Yadav , Bala Bhardwaj , Bal Chandra Yadav , Ajeet Singh , Santosh Kumar","doi":"10.1016/j.jics.2024.101439","DOIUrl":"10.1016/j.jics.2024.101439","url":null,"abstract":"<div><div>Humidity sensors, being an important component of the Internet of Things (IoT) and artificial intelligence (AI), are currently used in noncontact sensing, electronic skin, respiratory analysis, etc. In this study, the sol-gel auto-combustion technique was used to prepare strontium-doped zinc ferrite (ZnFe<sub>2</sub>O<sub>4</sub>) nanomaterials. The synthesized materials have been characterized using Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction (PXRD), energy dispersive X-ray (EDX), and field emission scanning electron microscopy (FESEM) techniques. The doping of strontium increases the lattice parameter and reduces the crystallite size. The synthesized nanoparticles were used to design a humidity sensor for the first time, and several humidity-sensing properties were investigated. The designed humidity sensor has a response and recovery times of 19 s and 81 s, respectively. It has low humidity hysteresis, excellent repeatability, and a minute ageing effect.</div><div>A comparison of the present study with previous reports suggests that the developed humidity sensor is promising in terms of recovery, response times, and material.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 12","pages":"Article 101439"},"PeriodicalIF":3.2,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586556","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}
The periodic colored polymer bands have been investigated in frontal polymerization (FP) reaction containing methacrylic acid (MAA), hydroquinone, Benzoyl peroxide (BP), and N, N Dimethyl aniline (DMA) system. The MAA acts as a monomer, which was diluted adequately with methanol (MeOH), ethanol (EtOH), and butanol (BuOH) separately to observe the patterning characteristics in different reaction schemes. The structural modulations that include the periodicity of colored polymer bands, morphological changes, and spacings between two adjacent layers were studied. The colored variations of polymer bands and their dependency on the concentration of BP, hydroquinone and alcoholic compositions have been studied. The highly consistent pink-white colored polymer bands, loosely-packed band structures, and perfectly ordered band structures resulted in MeOH, EtOH, and BuOH systems, respectively, as discussed. The evolution of tiny bubbles and convection-type instability has been observed in different conditions of the FP reactions that significantly affect the planar movement of the polymer fronts. The hot spots, which usually represent the high-temperature regions of a typical frontal surface, have also been demonstrated in all reacting systems, which may cause spin mode propagation of the fronts and change the surface geometry, as described. The materials characterization was carried out using UV–visible spectrophotometer, NMR, FTIR, and FESEM techniques, providing information about the polymer phases involved in band structures, composition, and surface properties. The analytical data and results obtained during the study further emphasized that two different colored polymers, namely 1, 4-dihydroxy anthraquinone methacrylic acid and poly-methacrylic acid dihydroxy, anthraquinone produced simultaneously and crystallized periodically, results in the development of a colored polymer band structures. The possible reactions and associated chemical mechanisms concerning the observations, the nature of the monomer, and solvent characteristics have been proposed, which show a close agreement with the analytical data and results obtained during the study.
{"title":"Structural modulation in colored polymer bands of methacrylic acid-based frontal polymerization","authors":"Shyam Sundar Majhi , Ashish C. Singh , Ritesh Kumar Upadhyay , Ashis Kumar Chakraborty , Narendra Yadav , P.K. Srivastava","doi":"10.1016/j.jics.2024.101437","DOIUrl":"10.1016/j.jics.2024.101437","url":null,"abstract":"<div><div>The periodic colored polymer bands have been investigated in frontal polymerization (FP) reaction containing methacrylic acid (MAA), hydroquinone, Benzoyl peroxide (BP), and N, N Dimethyl aniline (DMA) system. The MAA acts as a monomer, which was diluted adequately with methanol (MeOH), ethanol (EtOH), and butanol (BuOH) separately to observe the patterning characteristics in different reaction schemes. The structural modulations that include the periodicity of colored polymer bands, morphological changes, and spacings between two adjacent layers were studied. The colored variations of polymer bands and their dependency on the concentration of BP, hydroquinone and alcoholic compositions have been studied. The highly consistent pink-white colored polymer bands, loosely-packed band structures, and perfectly ordered band structures resulted in MeOH, EtOH, and BuOH systems, respectively, as discussed. The evolution of tiny bubbles and convection-type instability has been observed in different conditions of the FP reactions that significantly affect the planar movement of the polymer fronts. The hot spots, which usually represent the high-temperature regions of a typical frontal surface, have also been demonstrated in all reacting systems, which may cause spin mode propagation of the fronts and change the surface geometry, as described. The materials characterization was carried out using UV–visible spectrophotometer, NMR, FTIR, and FESEM techniques, providing information about the polymer phases involved in band structures, composition, and surface properties. The analytical data and results obtained during the study further emphasized that two different colored polymers, namely 1, 4-dihydroxy anthraquinone methacrylic acid and poly-methacrylic acid dihydroxy, anthraquinone produced simultaneously and crystallized periodically, results in the development of a colored polymer band structures. The possible reactions and associated chemical mechanisms concerning the observations, the nature of the monomer, and solvent characteristics have been proposed, which show a close agreement with the analytical data and results obtained during the study.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 11","pages":"Article 101437"},"PeriodicalIF":3.2,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538229","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}
A simple, efficient and scalable methodology has been developed for the synthesis of Metopimazine, a dopamine D2–receptor antagonist. Starting from nitrophenylthio substituted methylsulfonyl benzenamine subjected to simple N–formylation using formic acid followed by base–catalysed cyclization resulted the formation of 2–(methylsulfonyl)–10H–phenothiazine. This method does not involve the conventional peracid oxidation that exemplifies the formation of several oxidized species that are tedious to separate. The later derivative is proven effective in the synthesis of title active pharmaceutical ingredient via N–chloroproylation followed by treating piperidine–4–carboxamide resulted in the formation of Metopimazine in high yield. The potential genotoxic impurities such as nitroaromatic derivatives were effectively removed by reduction using simple zinc dust formic acid treatment, which effectually converts nitro derivatives into amine hydrochlorides that are water soluble. Similarly, the N–alkylation of phenothiazine derivative forms potential impurities such as the formation of N–allyl and propyl bridged dimer derivatives that are removed by effective recrystallization. This method has been scaled up and evidenced no compromise with the yield and hence can be considered as industry ready.
{"title":"Simple and robust method for the synthesis of Metopimazine by utilising smile’s rearrangement. Elimination of genotoxic impurities via derivatization","authors":"Prashanth Kumar Babu Chalkappa , Sudhakara Aralihalli , B.M. Praveen , Kedarnath Birajdar , S. Sreenivasa","doi":"10.1016/j.jics.2024.101430","DOIUrl":"10.1016/j.jics.2024.101430","url":null,"abstract":"<div><div>A simple, efficient and scalable methodology has been developed for the synthesis of Metopimazine, a dopamine D<sub>2</sub>–receptor antagonist. Starting from nitrophenylthio substituted methylsulfonyl benzenamine subjected to simple N–formylation using formic acid followed by base–catalysed cyclization resulted the formation of 2–(methylsulfonyl)–10H–phenothiazine. This method does not involve the conventional peracid oxidation that exemplifies the formation of several oxidized species that are tedious to separate. The later derivative is proven effective in the synthesis of title active pharmaceutical ingredient <em>via</em> N–chloroproylation followed by treating piperidine–4–carboxamide resulted in the formation of Metopimazine in high yield. The potential genotoxic impurities such as nitroaromatic derivatives were effectively removed by reduction using simple zinc dust formic acid treatment, which effectually converts nitro derivatives into amine hydrochlorides that are water soluble. Similarly, the N–alkylation of phenothiazine derivative forms potential impurities such as the formation of N–allyl and propyl bridged dimer derivatives that are removed by effective recrystallization. This method has been scaled up and evidenced no compromise with the yield and hence can be considered as industry ready.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 11","pages":"Article 101430"},"PeriodicalIF":3.2,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538124","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}
Pub Date : 2024-10-18DOI: 10.1016/j.jics.2024.101432
Sarab T. Kasim , Hasan A. Hadi , Raid A. Ismail
In this work, vanadium nitride (VN) thin films were deposited on porous silicon using the DC sputtering technique. The porous silicon was prepared using the electrochemical etching method at various current densities. X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), Fourier transform infrared (FTIR) spectroscopy, UV–visible spectrometry, and photoluminescence (PL) spectroscopy were used to study the structural, morphological, chemical, and optical characteristics of the vanadium nitride and porous silicon. X-ray diffraction studies showed that the deposited vanadium nitride film was crystalline in nature with a cubic structure. The VN particles were found to be embedded inside the pores of the porous silicon. The crystallite size of the VN film was 8 nm. The optical absorption results showed that the optical energy gap of vanadium nitride was 2.98 eV. The photoluminescence spectra revealed the presence of four emission peaks located at 441, 496, 541, and 720 nm. The electrical properties of the VN/PSi heterojunction, including dark and illuminated current-voltage characteristics as a function of etching current density, were investigated. The best ideality factor was 3.1 for heterojunction prepared at a current density of 8 mA/cm2. A responsivity of 3.7 A/W and a detectivity of 6.5 × 1011 Jones at 500 nm were found for the photodetector fabricated at a current density of 8 mA/cm2. The (I-t) response of the photodetectors were determined.
{"title":"Enhancement of optoelectronic properties of Vanadium nitride/porous silicon heterojunction photodetector prepared by electrochemical etching and reactive DC sputtering","authors":"Sarab T. Kasim , Hasan A. Hadi , Raid A. Ismail","doi":"10.1016/j.jics.2024.101432","DOIUrl":"10.1016/j.jics.2024.101432","url":null,"abstract":"<div><div>In this work, vanadium nitride (VN) thin films were deposited on porous silicon using the DC sputtering technique. The porous silicon was prepared using the electrochemical etching method at various current densities. X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), Fourier transform infrared (FTIR) spectroscopy, UV–visible spectrometry, and photoluminescence (PL) spectroscopy were used to study the structural, morphological, chemical, and optical characteristics of the vanadium nitride and porous silicon. X-ray diffraction studies showed that the deposited vanadium nitride film was crystalline in nature with a cubic structure. The VN particles were found to be embedded inside the pores of the porous silicon. The crystallite size of the VN film was 8 nm. The optical absorption results showed that the optical energy gap of vanadium nitride was 2.98 eV. The photoluminescence spectra revealed the presence of four emission peaks located at 441, 496, 541, and 720 nm. The electrical properties of the VN/PSi heterojunction, including dark and illuminated current-voltage characteristics as a function of etching current density, were investigated. The best ideality factor was 3.1 for heterojunction prepared at a current density of 8 mA/cm<sup>2</sup>. A responsivity of 3.7 A/W and a detectivity of 6.5 × 10<sup>11</sup> Jones at 500 nm were found for the photodetector fabricated at a current density of 8 mA/cm<sup>2</sup>. The (I-t) response of the photodetectors were determined.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 11","pages":"Article 101432"},"PeriodicalIF":3.2,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538227","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}
Pub Date : 2024-10-16DOI: 10.1016/j.jics.2024.101421
Ya-Wen Lin , Yan- Yu Lin , Kae-Long Lin
In this study, eco-hydroxyapatite (e-HAP) was synthesized from marble sludge via a hydrothermal process for utilization as an adsorbent in the removal of Pb2+ ions from wastewater. X-ray powder diffraction (XRD) and thermal field emission scanning electron microscope (FE-SEM) revealed that increasing the Ca/P molar ratio (CPMR) and hydrothermal temperature (HT) increased crystallinity and that the influence of HT was more apparent. An increase in crystallinity, crystal length, and peak intensity was observed following an increase in the CPMR. Adsorption studies show that when the HT was 393 K, the CPMR was 0.67, the initial Pb2+ ion concentration was 100 mg/L, the equilibrium time was 20 min, and the adsorbent dosage was 0.6 g/L. The resulting removal efficiency (99.99 %) and maximum adsorption capacity (166.65 mg/g) are both very high. Adsorption kinetics are well described using a pseudo-second-order kinetic model. This paper presents a facile and economically sustainable approach to the synthesis of e-HAP from marble sludge for use in removing of Pb2+ from wastewater.
{"title":"Enhanced lead adsorption by eco-hydroxyapatite derived from marble sludge: Optimization and kinetic study","authors":"Ya-Wen Lin , Yan- Yu Lin , Kae-Long Lin","doi":"10.1016/j.jics.2024.101421","DOIUrl":"10.1016/j.jics.2024.101421","url":null,"abstract":"<div><div>In this study, eco-hydroxyapatite (e-HAP) was synthesized from marble sludge via a hydrothermal process for utilization as an adsorbent in the removal of Pb<sup>2+</sup> ions from wastewater. X-ray powder diffraction (XRD) and thermal field emission scanning electron microscope (FE-SEM) revealed that increasing the Ca/P molar ratio (CPMR) and hydrothermal temperature (HT) increased crystallinity and that the influence of HT was more apparent. An increase in crystallinity, crystal length, and peak intensity was observed following an increase in the CPMR. Adsorption studies show that when the HT was 393 K, the CPMR was 0.67, the initial Pb<sup>2+</sup> ion concentration was 100 mg/L, the equilibrium time was 20 min, and the adsorbent dosage was 0.6 g/L. The resulting removal efficiency (99.99 %) and maximum adsorption capacity (166.65 mg/g) are both very high. Adsorption kinetics are well described using a pseudo-second-order kinetic model. This paper presents a facile and economically sustainable approach to the synthesis of e-HAP from marble sludge for use in removing of Pb<sup>2+</sup> from wastewater.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 11","pages":"Article 101421"},"PeriodicalIF":3.2,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538127","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}
Pub Date : 2024-10-16DOI: 10.1016/j.jics.2024.101434
M. Ayisha Zeenath , R. Gayathri , M. Ishwathika , V. Manikandan
This work explores the enhancement of dye-sensitized solar cells (DSSCs) by using magnesium oxide nanoparticles (MgO NPs) that have been green-synthesized, with carambola extract acting as a natural dye sensitizer. Green synthesis minimizes the negative effects of traditional synthesis methods on the environment by providing a sustainable and ecologically friendly way to produce MgO NPs. To increase their effectiveness in DSSC applications, the synthesized nanoparticles underwent optimization. The morphology and size distribution of MgO NPs were characterized by scanning electron microscopy (SEM), which revealed spherical forms with a consistent size distribution. The crystalline nature of the MgO NPs was verified by X-ray diffraction (XRD), which revealed distinctive peaks that correspond to the bulk MgO crystal planes. A band gap of 3.5 eV, appropriate for UV region absorption, was found using UV–visible spectroscopy. FT-IR (Fourier-transform infrared) spectroscopy revealed information about their molecular compositions. Positive electronic characteristics, such as a negative total energy change (ΔE_T) and a high electrophilicity index (ω), which indicates effective charge transfer, were found through computational analysis. The light harvesting efficiency (LHE) value of 0.00459 signifies optimal light absorption capability by the dye molecule. The outcomes show that MgO NPs that have undergone green synthesis have the potential to be efficient and stable sensitizers for DSSCs. In addition to highlighting the significance of green synthesis techniques in nanomaterial research for renewable energy applications, this work advances the development of efficient and sustainable solar energy systems.
这项研究探讨了如何利用绿色合成的氧化镁纳米粒子（MgO NPs）增强染料敏化太阳能电池（DSSC）的性能，苌楚提取物是一种天然染料敏化剂。绿色合成提供了一种可持续的生态友好型氧化镁纳米粒子生产方法，从而最大限度地减少了传统合成方法对环境的负面影响。为了提高其在 DSSC 应用中的有效性，对合成的纳米粒子进行了优化。通过扫描电子显微镜（SEM）对氧化镁 NPs 的形态和尺寸分布进行了表征，结果显示其呈球形，尺寸分布一致。氧化镁 NPs 的结晶性质通过 X 射线衍射 (XRD) 得到验证，XRD 显示了与块状氧化镁晶面相对应的独特峰值。利用紫外可见光谱发现了 3.5 eV 的带隙，适合紫外区吸收。傅立叶变换红外光谱（FT-IR）显示了它们的分子组成信息。通过计算分析发现了积极的电子特性，如负总能量变化（ΔE_T）和高亲电指数（ω），这表明电荷转移有效。光收集效率（LHE）值为 0.00459，表明染料分子具有最佳的光吸收能力。研究结果表明，经过绿色合成的氧化镁纳米粒子有望成为高效、稳定的 DSSC 感光剂。除了强调绿色合成技术在可再生能源应用纳米材料研究中的重要意义外，这项工作还推动了高效和可持续太阳能系统的发展。
{"title":"Optimization, imaging and LHE analysis of magnesium oxide nanoparticles synthesized with carambola extract as natural dye sensitizer","authors":"M. Ayisha Zeenath , R. Gayathri , M. Ishwathika , V. Manikandan","doi":"10.1016/j.jics.2024.101434","DOIUrl":"10.1016/j.jics.2024.101434","url":null,"abstract":"<div><div>This work explores the enhancement of dye-sensitized solar cells (DSSCs) by using magnesium oxide nanoparticles (MgO NPs) that have been green-synthesized, with <em>carambola</em> extract acting as a natural dye sensitizer. Green synthesis minimizes the negative effects of traditional synthesis methods on the environment by providing a sustainable and ecologically friendly way to produce MgO NPs. To increase their effectiveness in DSSC applications, the synthesized nanoparticles underwent optimization. The morphology and size distribution of MgO NPs were characterized by scanning electron microscopy (SEM), which revealed spherical forms with a consistent size distribution. The crystalline nature of the MgO NPs was verified by X-ray diffraction (XRD), which revealed distinctive peaks that correspond to the bulk MgO crystal planes. A band gap of 3.5 eV, appropriate for UV region absorption, was found using UV–visible spectroscopy. FT-IR (Fourier-transform infrared) spectroscopy revealed information about their molecular compositions. Positive electronic characteristics, such as a negative total energy change (ΔE_T) and a high electrophilicity index (ω), which indicates effective charge transfer, were found through computational analysis. The light harvesting efficiency (LHE) value of 0.00459 signifies optimal light absorption capability by the dye molecule. The outcomes show that MgO NPs that have undergone green synthesis have the potential to be efficient and stable sensitizers for DSSCs. In addition to highlighting the significance of green synthesis techniques in nanomaterial research for renewable energy applications, this work advances the development of efficient and sustainable solar energy systems.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 11","pages":"Article 101434"},"PeriodicalIF":3.2,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538228","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}
Pub Date : 2024-10-16DOI: 10.1016/j.jics.2024.101433
Muhammad Yasir , Fatima Akram , Mumtaz Masih , Nuzhat Jamil , Wissem Mnif , Fawzeyah Alkhaloofa , Fatima Aldaw Idrees Jubara , Munawar Iqbal , Arif Nazir
Adsorption of zinc oxide Zn8O8 (n = 1–8) nanoclusters on coronene was studied through DFT calculations at B3LYP/6-31G (d,p) level. Electronic properties such as HOMO/LUMO energy gap (Eg), ionization potential (IP), electron affinity (EA), chemical hardness and chemical softness were analyzed to understand the sensing abilities of nano-cages for coronene. Eg of coronene nano-cages decreased significantly as the zinc oxide ZnnOn (n = 1–8) was adsorbed on the coronene and the Eg values were recorded to be in the range of 5.75–4.46 eV. It is observed that the alteration of Eg during the adsorption process was transmitted to the sensitivity of the adsorbent for the meticulous adsorbate. The most stable geometry according to the HOMO/LUMO energy gap was found to be Coronene-Zn4O4, while the less stable was Coronene-ZnO. The reactivity indicated the maximum conductance for zinc oxide ZnnOn (n = 1–8) adsorption on coronene. The highest chemical softness as well as electron affinity were recorded for Coronene-ZnO geometry, while the chemical hardness and ionization potential were higher in the case of Coronene-Zn6O6. Zinc oxide adsorption on coronene suggested it to be the best adsorbent for catalysis and magnetism. Such composites of ZnO nanoclusters over coronene exhibited excellent electronic and magnetic properties which suggested their numerous biological, environmental and pharmaceutical applications.
{"title":"Quantum-mechanical characterization of (ZnO)n nanoclusters and their coronene composites","authors":"Muhammad Yasir , Fatima Akram , Mumtaz Masih , Nuzhat Jamil , Wissem Mnif , Fawzeyah Alkhaloofa , Fatima Aldaw Idrees Jubara , Munawar Iqbal , Arif Nazir","doi":"10.1016/j.jics.2024.101433","DOIUrl":"10.1016/j.jics.2024.101433","url":null,"abstract":"<div><div>Adsorption of zinc oxide Zn<sub>8</sub>O<sub>8</sub> (n = 1–8) nanoclusters on coronene was studied through DFT calculations at B3LYP/6-31G (d,p) level. Electronic properties such as HOMO/LUMO energy gap (E<sub>g</sub>), ionization potential (IP), electron affinity (EA), chemical hardness and chemical softness were analyzed to understand the sensing abilities of nano-cages for coronene. E<sub>g</sub> of coronene nano-cages decreased significantly as the zinc oxide Zn<sub>n</sub>O<sub>n</sub> (n = 1–8) was adsorbed on the coronene and the E<sub>g</sub> values were recorded to be in the range of 5.75–4.46 eV. It is observed that the alteration of E<sub>g</sub> during the adsorption process was transmitted to the sensitivity of the adsorbent for the meticulous adsorbate. The most stable geometry according to the HOMO/LUMO energy gap was found to be Coronene-Zn<sub>4</sub>O<sub>4,</sub> while the less stable was Coronene-ZnO. The reactivity indicated the maximum conductance for zinc oxide Zn<sub>n</sub>O<sub>n</sub> (n = 1–8) adsorption on coronene. The highest chemical softness as well as electron affinity were recorded for Coronene-ZnO geometry, while the chemical hardness and ionization potential were higher in the case of Coronene-Zn<sub>6</sub>O<sub>6</sub>. Zinc oxide adsorption on coronene suggested it to be the best adsorbent for catalysis and magnetism. Such composites of ZnO nanoclusters over coronene exhibited excellent electronic and magnetic properties which suggested their numerous biological, environmental and pharmaceutical applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 12","pages":"Article 101433"},"PeriodicalIF":3.2,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657396","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}
Pub Date : 2024-10-16DOI: 10.1016/j.jics.2024.101431
K.A. Vishnumurthy , Raviraj Kusanur , S. Kendaganna Swamy
In this study, we designed and synthesized a novel colorimetric sensor for fluoride ions by integrating a thienodicarbohydrazide framework with salicylaldehyde, resulting in a unique bis-hydrazone-phenol receptor. This sensor exhibited exceptional selectivity for fluoride and acetate ions in nonaqueous environments, with detection visible to the naked eye. Upon interaction with fluoride ions, the receptor underwent a significant red shift in its UV–Visible absorption spectrum, moving from an absorption maximum at 332 nm–380 nm, signalling the recognition event. Acetate ions induced a similar shift. The binding interactions were thoroughly investigated, with a Jobs plot revealing a 1:1 receptor-anion complex formation with fluoride ions and a 1:2 complex with acetate ions. Further validation came from 1H NMR titration, which confirmed the presence of hydrogen bonding interactions between the receptor and the ions. The receptor demonstrated remarkable binding constants of 5.2 × 10⁴ M−2 for acetate and 1.6 × 10⁴ M−1 for fluoride ions, highlighting its strong and selective affinity. Fluorescence titrations further confirmed the receptor's potential as a chemo sensor, showing distinct emission changes in the presence of fluoride and acetate ions. This study not only underscores the receptor's capability for visual detection of fluoride ions in non-aqueous systems but also paves the way for its application in diverse analytical and environmental settings.
{"title":"Naked eye detection of anions: Dihydrazone receptor-based visual sensing","authors":"K.A. Vishnumurthy , Raviraj Kusanur , S. Kendaganna Swamy","doi":"10.1016/j.jics.2024.101431","DOIUrl":"10.1016/j.jics.2024.101431","url":null,"abstract":"<div><div>In this study, we designed and synthesized a novel colorimetric sensor for fluoride ions by integrating a thienodicarbohydrazide framework with salicylaldehyde, resulting in a unique bis-hydrazone-phenol receptor. This sensor exhibited exceptional selectivity for fluoride and acetate ions in nonaqueous environments, with detection visible to the naked eye. Upon interaction with fluoride ions, the receptor underwent a significant red shift in its UV–Visible absorption spectrum, moving from an absorption maximum at 332 nm–380 nm, signalling the recognition event. Acetate ions induced a similar shift. The binding interactions were thoroughly investigated, with a Jobs plot revealing a 1:1 receptor-anion complex formation with fluoride ions and a 1:2 complex with acetate ions. Further validation came from <sup>1</sup>H NMR titration, which confirmed the presence of hydrogen bonding interactions between the receptor and the ions. The receptor demonstrated remarkable binding constants of 5.2 × 10⁴ M<sup>−2</sup> for acetate and 1.6 × 10⁴ M<sup>−1</sup> for fluoride ions, highlighting its strong and selective affinity. Fluorescence titrations further confirmed the receptor's potential as a chemo sensor, showing distinct emission changes in the presence of fluoride and acetate ions. This study not only underscores the receptor's capability for visual detection of fluoride ions in non-aqueous systems but also paves the way for its application in diverse analytical and environmental settings.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 11","pages":"Article 101431"},"PeriodicalIF":3.2,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538230","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}
Pub Date : 2024-10-16DOI: 10.1016/j.jics.2024.101435
Pratham M. Shah , Siddhant Kumar Prasad , Rahul Sarkhel , Papu Kumar Naik , Jitendra S. Sangwai , Tamal Banerjee , Debashis Kundu
Natural gas hydrates are recognized as a crucial and sustainable energy resource. The formation, dissociation, and flow properties of CH4 hydrate from deep eutectic solvents (DESs) are investigated using a high-pressure rheometer. In this work, rheological experiments are performed using two DESs namely, tetrabutylammonium bromide + ethylene Glycol (TBAB + EG, DES1) and methyltriphenylphosphonium bromide + ethylene Glycol (MTPB + EG, DES2) at 1 wt% concentration, 274 K temperature and 8 MPa pressure. The hydrate formation starts around 1.7 h for DES1 and around 4 h for DES2. Pressure and viscosity of the slurry are analyzed while methane hydrate forms and dissociates. The pressure drop experienced during hydrate formation is roughly 1.4 MPa for DES1 and 1.7 MPa for DES2. Further, viscosity profiles are analyzed for both DESs with varying shear rate. The viscosity gradually decreases as the shear rate increases. At equilibrium conditions of pure CH4, a spike is observed during dissociation. The rheological data is further analyzed with Cross model to validate the shear-thinning behavior of methane hydrate.
{"title":"Rheological behavior of deep eutectic solvent promoted methane hydrate formation","authors":"Pratham M. Shah , Siddhant Kumar Prasad , Rahul Sarkhel , Papu Kumar Naik , Jitendra S. Sangwai , Tamal Banerjee , Debashis Kundu","doi":"10.1016/j.jics.2024.101435","DOIUrl":"10.1016/j.jics.2024.101435","url":null,"abstract":"<div><div>Natural gas hydrates are recognized as a crucial and sustainable energy resource. The formation, dissociation, and flow properties of CH<sub>4</sub> hydrate from deep eutectic solvents (DESs) are investigated using a high-pressure rheometer. In this work, rheological experiments are performed using two DESs namely, tetrabutylammonium bromide + ethylene Glycol (TBAB + EG, DES1) and methyltriphenylphosphonium bromide + ethylene Glycol (MTPB + EG, DES2) at 1 wt% concentration, 274 K temperature and 8 MPa pressure. The hydrate formation starts around 1.7 h for DES1 and around 4 h for DES2. Pressure and viscosity of the slurry are analyzed while methane hydrate forms and dissociates. The pressure drop experienced during hydrate formation is roughly 1.4 MPa for DES1 and 1.7 MPa for DES2. Further, viscosity profiles are analyzed for both DESs with varying shear rate. The viscosity gradually decreases as the shear rate increases. At equilibrium conditions of pure CH<sub>4</sub>, a spike is observed during dissociation. The rheological data is further analyzed with Cross model to validate the shear-thinning behavior of methane hydrate.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"101 11","pages":"Article 101435"},"PeriodicalIF":3.2,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538234","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}
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