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Use of the HighScore Plus software for an easy and complete quantification of the anatase, brookite, rutile, and amorphous phase content in TiO2
Pub Date : 2025-01-04 DOI: 10.1016/j.cinorg.2024.100086
F. El Koulali , M. Ouzzine , L. Cano-Casanova , M.C. Román-Martínez , M.A. Lillo-Ródenas
X-ray diffraction is used to characterize the crystalline composition of TiO2-based materials, but to determine the percentage of amorphous phase by simple calculations and tools is not straightforward. The present study analyzes the use of the software HighScore Plus to perform a complete structural characterization of a large set of TiO2-materials, commercial and prepared in our laboratory by sol-gel and hydrothermal methodologies. The aim is to evaluate not only the crystalline phases content, but also the amorphous phase content. CaF2 is used as a reference material, and its crystallinity is assumed to be 100 ​%. The comparison of the results obtained with the software HighScore Plus with those of the method developed in our research group by Cano-Casanova et al., based on the deconvolution of the XRD peaks of anatase, brookite, and rutile, has shown that the results of both methods are very similar, and the HighScore Plus software can definitively be used for an easy determination of the amorphous phase content in titanium dioxide, even for materials with the three crystalline phases, rather overlapping peaks, and/or with a high amorphous phase content, which cannot be easily characterized by the method by Cano-Casanova el al. Thus, amorphous phase contents in the 5-51 ​% range are obtained with the HighScore Plus method, in contrast with 8–47 ​% for the previously developed methodology. Our study has also highlighted the possibility of using the BET surface area of TiO2-based materials for an easy estimation of the percentage of amorphous phase.
{"title":"Use of the HighScore Plus software for an easy and complete quantification of the anatase, brookite, rutile, and amorphous phase content in TiO2","authors":"F. El Koulali ,&nbsp;M. Ouzzine ,&nbsp;L. Cano-Casanova ,&nbsp;M.C. Román-Martínez ,&nbsp;M.A. Lillo-Ródenas","doi":"10.1016/j.cinorg.2024.100086","DOIUrl":"10.1016/j.cinorg.2024.100086","url":null,"abstract":"<div><div>X-ray diffraction is used to characterize the crystalline composition of TiO<sub>2</sub>-based materials, but to determine the percentage of amorphous phase by simple calculations and tools is not straightforward. The present study analyzes the use of the software HighScore Plus to perform a complete structural characterization of a large set of TiO<sub>2</sub>-materials, commercial and prepared in our laboratory by sol-gel and hydrothermal methodologies. The aim is to evaluate not only the crystalline phases content, but also the amorphous phase content. CaF<sub>2</sub> is used as a reference material, and its crystallinity is assumed to be 100 ​%. The comparison of the results obtained with the software HighScore Plus with those of the method developed in our research group by Cano-Casanova et al., based on the deconvolution of the XRD peaks of anatase, brookite, and rutile, has shown that the results of both methods are very similar, and the HighScore Plus software can definitively be used for an easy determination of the amorphous phase content in titanium dioxide, even for materials with the three crystalline phases, rather overlapping peaks, and/or with a high amorphous phase content, which cannot be easily characterized by the method by Cano-Casanova el al. Thus, amorphous phase contents in the 5-51 ​% range are obtained with the HighScore Plus method, in contrast with 8–47 ​% for the previously developed methodology. Our study has also highlighted the possibility of using the BET surface area of TiO<sub>2</sub>-based materials for an easy estimation of the percentage of amorphous phase.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100086"},"PeriodicalIF":0.0,"publicationDate":"2025-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143134943","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A review on green synthesis and applications of CeO2 nanomaterials – An eco-friendly approach
Pub Date : 2024-12-19 DOI: 10.1016/j.cinorg.2024.100084
P. Vinitha , M.V. Arularasu , R. Vignesh
Nanotechnology has been introduced in solving global problems in engineering, medicine, science, and pharmacy due to its large surface area-to-volume ratio. Conventional synthesis methods, such as chemical reduction, require hazardous chemicals and are cost-effective. However, green synthesis methods offer an eco-friendly and cost-effective approach. Its ability to easily transition between the Ce³⁺ and Ce⁴⁺ oxidation states, which promotes redox reactions, accounts for its exceptional catalytic activity. Additionally, CeO₂ has remarkable antioxidant properties due to its ability to reduce oxidative stress and scavenge reactive oxygen species (ROS). This review focuses on the green synthesis of CeO2 nanomaterials using various biological sources. The review further covers their emerging applications in photocatalytic dye degradation and potential biological applications along with mechanisms. This review serves as a guide for researchers interested in the green synthesis of CeO2 nanomaterials and recent advances and applications. Improving the functioning of nanoparticles for cutting-edge applications, standardizing synthesis techniques, and expanding biological sources are all areas that hold promise for the future.
{"title":"A review on green synthesis and applications of CeO2 nanomaterials – An eco-friendly approach","authors":"P. Vinitha ,&nbsp;M.V. Arularasu ,&nbsp;R. Vignesh","doi":"10.1016/j.cinorg.2024.100084","DOIUrl":"10.1016/j.cinorg.2024.100084","url":null,"abstract":"<div><div>Nanotechnology has been introduced in solving global problems in engineering, medicine, science, and pharmacy due to its large surface area-to-volume ratio. Conventional synthesis methods, such as chemical reduction, require hazardous chemicals and are cost-effective. However, green synthesis methods offer an eco-friendly and cost-effective approach. Its ability to easily transition between the Ce³⁺ and Ce⁴⁺ oxidation states, which promotes redox reactions, accounts for its exceptional catalytic activity. Additionally, CeO₂ has remarkable antioxidant properties due to its ability to reduce oxidative stress and scavenge reactive oxygen species (ROS). This review focuses on the green synthesis of CeO<sub>2</sub> nanomaterials using various biological sources. The review further covers their emerging applications in photocatalytic dye degradation and potential biological applications along with mechanisms. This review serves as a guide for researchers interested in the green synthesis of CeO<sub>2</sub> nanomaterials and recent advances and applications. Improving the functioning of nanoparticles for cutting-edge applications, standardizing synthesis techniques, and expanding biological sources are all areas that hold promise for the future.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100084"},"PeriodicalIF":0.0,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143134902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Microstructure and corrosion resistance of pyrolyzed Mg – ZnO thin film coatings on mild steel
Pub Date : 2024-12-17 DOI: 10.1016/j.cinorg.2024.100085
Victor Adewale Owoeye , Mojisola Olubunmi Nkiko , Frank O. Efe , Abiodun Eyitayo Adeoye , Enoch Debayo Ogunmola , Ayodele Nicholas Orelusi
Corrosion in steel structures reduces their reliability, posing serious safety hazards and leading to costly maintenance and replacements. By weakening the steel's load-bearing capacity, corrosion heightens the risk of structural failure, especially in essential infrastructure like bridges and buildings. It also visually degrades structures, lowering property values and detracting from the appearance of architectural elements. This study investigates the impact of zinc oxide and Mg-doped zinc oxide thin film coatings on the corrosion rate and morphology of mild steel. Using chemical spray pyrolysis (CSPT), thin films of ZnO and MgO were synthesized from zinc acetate and magnesium acetate precursors, respectively, and deposited on ultrasonically cleaned, preheated mild steel substrates. Scanning electron microscopy (SEM) analysis confirmed the presence of uniform, defect-free films, while energy dispersive X-ray spectroscopy (EDX) verified Zn, Mg, and O in the coatings. The coated films enhanced the mild steel's corrosion resistance, with undoped ZnO providing the most effective surface modification.
{"title":"Microstructure and corrosion resistance of pyrolyzed Mg – ZnO thin film coatings on mild steel","authors":"Victor Adewale Owoeye ,&nbsp;Mojisola Olubunmi Nkiko ,&nbsp;Frank O. Efe ,&nbsp;Abiodun Eyitayo Adeoye ,&nbsp;Enoch Debayo Ogunmola ,&nbsp;Ayodele Nicholas Orelusi","doi":"10.1016/j.cinorg.2024.100085","DOIUrl":"10.1016/j.cinorg.2024.100085","url":null,"abstract":"<div><div>Corrosion in steel structures reduces their reliability, posing serious safety hazards and leading to costly maintenance and replacements. By weakening the steel's load-bearing capacity, corrosion heightens the risk of structural failure, especially in essential infrastructure like bridges and buildings. It also visually degrades structures, lowering property values and detracting from the appearance of architectural elements. This study investigates the impact of zinc oxide and Mg-doped zinc oxide thin film coatings on the corrosion rate and morphology of mild steel. Using chemical spray pyrolysis (CSPT), thin films of ZnO and MgO were synthesized from zinc acetate and magnesium acetate precursors, respectively, and deposited on ultrasonically cleaned, preheated mild steel substrates. Scanning electron microscopy (SEM) analysis confirmed the presence of uniform, defect-free films, while energy dispersive X-ray spectroscopy (EDX) verified Zn, Mg, and O in the coatings. The coated films enhanced the mild steel's corrosion resistance, with undoped ZnO providing the most effective surface modification.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100085"},"PeriodicalIF":0.0,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143134901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analysis and performance evaluation of non-toxic organo-metal halide (CH3NH3SnI3) perovskite optical absorber based photovoltaic cell
Pub Date : 2024-12-04 DOI: 10.1016/j.cinorg.2024.100083
Azka Khalid , Muhammad Imran Malik , Irfan Qasim
Tin-based Perovskite solar cells (PSC) have emerged as a promising alternative to environmentally hazardous lead-based Perovskite solar cells. The lead-free Perovskite compound (CH3NH3SnI3) is particularly appealing due to its wide absorption spectrum. Perovskite materials both organic and inorganic, exhibit exceptional optical features such as a high absorption coefficient, a tunable band gap, and manufacturing techniques based on solution. The optical absorber material has been used in a novel solar cell composition ITO/TiO2/CH3NH3SnI3/NiO/Mo. To assess the device's performance, several critical parameters were investigated, including, structural layer thickness, carrier mobility, and the defect density. The numerical investigations were carried through solar capacitance simulator SCAPS-1D. By using calculations, Perovskite (CH3NH3SnI3) optical absorbent layer's thickness for the optimum device efficiency was adjusted to 1.032 ​μm, for electron transport layer (ETL) TiO2 the thicknesses was 0.002 ​μm and hole transport layer (HTL) NiO (HTL) optimized thickness was adjusted to be 0.02 ​μm. The device power conversion efficiency (PCE) was found to be 21.068 ​%. Electrical parameters open circuit voltage (Voc), short circuit current (Jsc), Fill Factor (FF %) and quantum efficiency (QE) get influenced by variation in layers thicknesses and interface defect densities. The proposed composition has been thoroughly investigated, and the optimized device performance has been comprehensively analyzed in this study. Current investigations may help to design and manufacture the environmentally acceptable, non-toxic, and efficient solar cells.
{"title":"Analysis and performance evaluation of non-toxic organo-metal halide (CH3NH3SnI3) perovskite optical absorber based photovoltaic cell","authors":"Azka Khalid ,&nbsp;Muhammad Imran Malik ,&nbsp;Irfan Qasim","doi":"10.1016/j.cinorg.2024.100083","DOIUrl":"10.1016/j.cinorg.2024.100083","url":null,"abstract":"<div><div>Tin-based Perovskite solar cells (PSC) have emerged as a promising alternative to environmentally hazardous lead-based Perovskite solar cells. The lead-free Perovskite compound (CH<sub>3</sub>NH<sub>3</sub>SnI<sub>3</sub>) is particularly appealing due to its wide absorption spectrum. Perovskite materials both organic and inorganic, exhibit exceptional optical features such as a high absorption coefficient, a tunable band gap, and manufacturing techniques based on solution. The optical absorber material has been used in a novel solar cell composition ITO/TiO<sub>2</sub>/CH<sub>3</sub>NH<sub>3</sub>SnI<sub>3</sub>/NiO/Mo. To assess the device's performance, several critical parameters were investigated, including, structural layer thickness, carrier mobility, and the defect density. The numerical investigations were carried through solar capacitance simulator SCAPS-1D. By using calculations, Perovskite (CH<sub>3</sub>NH<sub>3</sub>SnI<sub>3</sub>) optical absorbent layer's thickness for the optimum device efficiency was adjusted to 1.032 ​μm, for electron transport layer (ETL) TiO<sub>2</sub> the thicknesses was 0.002 ​μm and hole transport layer (HTL) NiO (HTL) optimized thickness was adjusted to be 0.02 ​μm. The device power conversion efficiency (PCE) was found to be 21.068 ​%. Electrical parameters open circuit voltage (V<sub>oc</sub>), short circuit current (J<sub>sc</sub>), Fill Factor (FF %) and quantum efficiency (QE) get influenced by variation in layers thicknesses and interface defect densities. The proposed composition has been thoroughly investigated, and the optimized device performance has been comprehensively analyzed in this study. Current investigations may help to design and manufacture the environmentally acceptable, non-toxic, and efficient solar cells.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100083"},"PeriodicalIF":0.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143134944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
DNA interaction and cytotoxicity of a new asymmetric dimer cobalt(II) complex [Co(phen)2(Cl2)]3(H2O).[Co(phen)2(Cl)(H2O)](Cl)
Pub Date : 2024-12-01 DOI: 10.1016/j.cinorg.2024.100071
P. Gurumoorthy , S. Ulaganathan , S. Baskaran
The new, unusual and asymmetric cobalt(II) complex, [Co(phen)2(Cl2)]3(H2O).[Co(phen)2(Cl)(H2O)](Cl) (phen ​= ​1,10-phenanthroline), has been synthesized and characterized structurally by regular spectral and single crystal XRD analysis. An asymmetric complex crystallized in a monoclinic system with space group P21/c, a ​= ​14.093(5) Å, b ​= ​24.089(5) Å, c ​= ​14.241(5) Å, α ​= ​90.000(5)°, β ​= ​98.010(5)°, and γ ​= ​90.000(5)°. DNA binding interactions of complex with calf thymus DNA (CT-DNA) has investigated by UV–Vis absorption, ethidium bromide displacement assay, viscometric and cyclic voltammetric titrations, and the results infer an intercalation mode of binding. Complex cleaves effectively plasmid pBR322 DNA, and exhibits remarkable cytotoxic activity against human colon cancer cell line (HCT15).
{"title":"DNA interaction and cytotoxicity of a new asymmetric dimer cobalt(II) complex [Co(phen)2(Cl2)]3(H2O).[Co(phen)2(Cl)(H2O)](Cl)","authors":"P. Gurumoorthy ,&nbsp;S. Ulaganathan ,&nbsp;S. Baskaran","doi":"10.1016/j.cinorg.2024.100071","DOIUrl":"10.1016/j.cinorg.2024.100071","url":null,"abstract":"<div><div>The new, unusual and asymmetric cobalt(II) complex, [Co(phen)<sub>2</sub>(Cl<sub>2</sub>)]3(H<sub>2</sub>O).[Co(phen)<sub>2</sub>(Cl)(H<sub>2</sub>O)](Cl) (phen ​= ​1,10-phenanthroline), has been synthesized and characterized structurally by regular spectral and single crystal XRD analysis. An asymmetric complex crystallized in a monoclinic system with space group <em>P</em>2<sub>1</sub>/<em>c</em>, a ​= ​14.093(5) Å, b ​= ​24.089(5) Å, c ​= ​14.241(5) Å, <em>α</em> ​= ​90.000(5)<sup>°</sup>, <em>β</em> ​= ​98.010(5)<sup>°</sup>, and <em>γ</em> ​= ​90.000(5)<sup>°</sup>. DNA binding interactions of complex with calf thymus DNA (CT-DNA) has investigated by UV–Vis absorption, ethidium bromide displacement assay, viscometric and cyclic voltammetric titrations, and the results infer an intercalation mode of binding. Complex cleaves effectively plasmid pBR322 DNA, and exhibits remarkable cytotoxic activity against human colon cancer cell line (HCT15).</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"4 ","pages":"Article 100071"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143137455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Naphthalen-2-yl-N′-(2-hydroxybenzoyl)benzohydrazonate as dual metal ion chemosensor for the detection of Fe3+ and Na+ ions 萘-2-酰基- n ' -(2-羟基苯甲酰)苯并肼酯作为双金属离子化学传感器检测Fe3+和Na+离子
Pub Date : 2024-12-01 DOI: 10.1016/j.cinorg.2024.100080
P. Kalaivani , R. Lokeshwari , R. Shankar , S. Cyril Christan , R. Prabhakaran
New probe naphthalen-2-yl-N′-(2-hydroxybenzoyl)benzohydrazonate (NHBH) chemosensor has been prepared and characterized by IR, 1H NMR, 13C NMR and Mass Spectroscopic techniques. The probe (NHBH) was subjected to study its cation sensing ability with twelve different metal chloride salt (Al3+, Ca2+, Co2+, Cr3+, Fe3+, Cu2+, Mn2+, Ni2+, Zn2+, Hg2+, K+ and Na+) in 1:4 methanol water medium by using absorption and emission titration experiments. The results showed that the probe detected Fe3+ and Na ​+ ​ions by showing absorption enhancement and fluorescence emission quenching. Further, NHBH exhibited good selectivity for Fe3+ and Na ​+ ​ions in the presence of mostother metal ions. Job's plot analysis authenticated the 1:1 binding nature of NHBH with Fe3+ and Na ​+ ​ions. Further, DFT studies validated the formation of probe (NHBH), fluorophore-quencher (Fe-NHBH) complex formation.
制备了新型探针萘-2-酰基- n′-(2-羟基苯甲酰)苯并肼酯(nhhh)化学传感器,并采用红外光谱、核磁共振、13C核磁共振和质谱技术对其进行了表征。在1:4甲醇水介质中,采用吸收和发射滴定法研究了探针(nhhb)对12种不同金属氯盐(Al3+、Ca2+、Co2+、Cr3+、Fe3+、Cu2+、Mn2+、Ni2+、Zn2+、Hg2+、K+和Na+)的阳离子感应能力。结果表明,探针对Fe3+和Na +离子表现出吸收增强和荧光猝灭的特性。此外,在大多数其他金属离子存在的情况下,NHBH对Fe3+和Na +离子表现出良好的选择性。Job的plot分析证实了NHBH与Fe3+和Na +离子的1:1结合性质。进一步,DFT研究验证了探针(NHBH)的形成,荧光团-猝灭剂(Fe-NHBH)络合物的形成。
{"title":"Naphthalen-2-yl-N′-(2-hydroxybenzoyl)benzohydrazonate as dual metal ion chemosensor for the detection of Fe3+ and Na+ ions","authors":"P. Kalaivani ,&nbsp;R. Lokeshwari ,&nbsp;R. Shankar ,&nbsp;S. Cyril Christan ,&nbsp;R. Prabhakaran","doi":"10.1016/j.cinorg.2024.100080","DOIUrl":"10.1016/j.cinorg.2024.100080","url":null,"abstract":"<div><div>New probe naphthalen-2-yl-N′-(2-hydroxybenzoyl)benzohydrazonate (NHBH) chemosensor has been prepared and characterized by IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR and Mass Spectroscopic techniques. The probe (NHBH) was subjected to study its cation sensing ability with twelve different metal chloride salt (Al<sup>3+</sup>, Ca<sup>2+</sup>, Co<sup>2+</sup>, Cr<sup>3+</sup>, Fe<sup>3+</sup>, Cu<sup>2+</sup>, Mn<sup>2+</sup>, Ni<sup>2+</sup>, Zn<sup>2+</sup>, Hg<sup>2+</sup>, K<sup>+</sup> and Na<sup>+</sup>) in 1:4 methanol water medium by using absorption and emission titration experiments. The results showed that the probe detected Fe<sup>3+</sup> and Na ​<sup>+</sup> ​ions by showing absorption enhancement and fluorescence emission quenching. Further, NHBH exhibited good selectivity for Fe<sup>3+</sup> and Na ​<sup>+</sup> ​ions in the presence of mostother metal ions. Job's plot analysis authenticated the 1:1 binding nature of NHBH with Fe<sup>3+</sup> and Na ​<sup>+</sup> ​ions. Further, DFT studies validated the formation of probe (NHBH), fluorophore-quencher (Fe-NHBH) complex formation.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"4 ","pages":"Article 100080"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748231","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mustard oil mediated synthesis of magic-sized ZnSe nanoclusters 以芥子油为介质合成神奇尺寸的 ZnSe 纳米团簇
Pub Date : 2024-11-20 DOI: 10.1016/j.cinorg.2024.100082
Pawan K. Khanna, Shubhangi Pandit, Naeem Mohammad, Priyanka Phalswal
Magic sized ZnSe nanoclusters have applications in a wide range of areas, such as bioimaging, bio-detection techniques, LEDs and solar cells etc. Despite extensive studies done on ZnSe quantum dots (QDs), the technological potential of photonic behaviour of their lower size range clusters is still largely unexplored. We herein present rapid mustered oil mediated synthesis of magic sized ZnSe with their identification as single-family entities by trapping a fixed position doublet in their absorption spectra. Consistent absorption peaks at 304/305 and 318/19 ​nm irrespective of methods employed are presented. The PL spectra show broad emissions between 350 and 550 ​nm dominating blue region of energy offering scope of further tunability. The mustard oil mediated synthesis was performed using thermal, microwave and ultrasound energy. Despite their size domain of about 2 ​nm, their broad XRD pattern have signature of crystalline nature. Mass spectrometry, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) are in good support of ZnSe magic size clusters. Typically, blue region CIE coordinates are estimated from PL emission spectra.
魔幻尺寸的 ZnSe 纳米团簇可应用于生物成像、生物检测技术、发光二极管和太阳能电池等广泛领域。尽管对 ZnSe 量子点(QDs)进行了广泛的研究,但其低尺寸范围团簇的光子行为的技术潜力在很大程度上仍未得到开发。我们在本文中介绍了以芥子油为介质快速合成神奇尺寸 ZnSe 的方法,并通过在其吸收光谱中捕获固定位置的双影,将其鉴定为单族实体。无论采用哪种方法,在 304/305 和 318/19 纳米处都会出现一致的吸收峰。聚光光谱显示出 350 和 550 纳米之间的宽发射,在蓝色能量区域占主导地位,这为进一步的可调谐性提供了空间。芥子油介导的合成是利用热能、微波能和超声波能进行的。尽管它们的尺寸域约为 2 纳米,但其宽广的 XRD 图样具有结晶性质的特征。质谱分析、扫描电子显微镜(SEM)和透射电子显微镜(TEM)都很好地支持 ZnSe 神奇尺寸团簇。通常情况下,蓝色区域的 CIE 坐标是从 PL 发射光谱中估算出来的。
{"title":"Mustard oil mediated synthesis of magic-sized ZnSe nanoclusters","authors":"Pawan K. Khanna,&nbsp;Shubhangi Pandit,&nbsp;Naeem Mohammad,&nbsp;Priyanka Phalswal","doi":"10.1016/j.cinorg.2024.100082","DOIUrl":"10.1016/j.cinorg.2024.100082","url":null,"abstract":"<div><div>Magic sized ZnSe nanoclusters have applications in a wide range of areas, such as bioimaging, bio-detection techniques, LEDs and solar cells etc. Despite extensive studies done on ZnSe quantum dots (QDs), the technological potential of photonic behaviour of their lower size range clusters is still largely unexplored. We herein present rapid mustered oil mediated synthesis of magic sized ZnSe with their identification as single-family entities by trapping a fixed position doublet in their absorption spectra. Consistent absorption peaks at 304/305 and 318/19 ​nm irrespective of methods employed are presented. The PL spectra show broad emissions between 350 and 550 ​nm dominating blue region of energy offering scope of further tunability. The mustard oil mediated synthesis was performed using thermal, microwave and ultrasound energy. Despite their size domain of about 2 ​nm, their broad XRD pattern have signature of crystalline nature. Mass spectrometry, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) are in good support of ZnSe magic size clusters. Typically, blue region CIE coordinates are estimated from PL emission spectra.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"4 ","pages":"Article 100082"},"PeriodicalIF":0.0,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142721691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
5,6,7,8 tetrahydro-2-naphthylamine based novel azo dye: Synthesis, spectral characterizations, DFT and latent fingerprinting application studies 基于 5,6,7,8-四氢-2-萘胺的新型偶氮染料:合成、光谱特性、DFT 和潜在指纹应用研究
Pub Date : 2024-11-20 DOI: 10.1016/j.cinorg.2024.100076
Roohinaz Khanum, Shoukat Ali R.A
The present study describes about the synthesis, spectral characterization and computational studies of a new series of azo dyes produced from 5,6,7,8-tetrahydro-2-naphthylamine (3a-3d).
The aforementioned compounds are generated through the conventional method of diazotization of 5,6,7,8-tetrahydro-2-naphthylamine, followed by coupling reactions with four different coupling components, such as α-naphthol, β-naphthol, 6-bromo naphthol, and 8-hydroxy quinoline under suitable experimental conditions.
The resulting azo dyes are spectroscopically characterized and confirmed using UV, FTIR, NMR, and Mass spectral methods. The salvotochromic and fluorescence studies are performed by using various solvents CHCl3, DMF, DMSO and Ethanol.
A latent fingerprint application for the selected azo dye (3c) was also carried out, as it shows highest emission intensity in fluorescence studies. Additionally, computational DFT studies on the synthesized azo dyes are carried out in order to gain greater comprehension of the molecular properties which offer information regarding the compound's nonlinear optical (NLO) properties and its application.
本研究介绍了由 5,6,7,8-四氢-2-萘胺(3a-3d)生成的一系列新偶氮染料的合成、光谱表征和计算研究。上述化合物是通过传统方法重氮化 5,6,7,8- 四氢-2-萘胺,然后在合适的实验条件下与α-萘酚、β-萘酚、6-溴萘酚和 8-羟基喹啉等四种不同的偶联组分进行偶联反应生成的。使用 CHCl3、DMF、DMSO 和乙醇等多种溶剂对所选偶氮染料(3c)进行了残余变色和荧光研究。此外,还对合成的偶氮染料进行了计算 DFT 研究,以进一步了解其分子特性,从而为化合物的非线性光学(NLO)特性及其应用提供信息。
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引用次数: 0
Catalytic auto-oxidation of o-hydroxyphenylthiourea by Iridium(III): A photometric sensing platform for Iridium 铱(III)催化邻羟基苯硫脲的自氧化作用:铱的光度传感平台
Pub Date : 2024-11-19 DOI: 10.1016/j.cinorg.2024.100081
A. Sunil, Ashish Deep Chettri, S. Jagadeeswara Rao
o-Hydroxyphenylthiourea (HPTU) undergoes oxidative dimerization to form a yellow-colored disulfide in the presence of Iridium(III), a process significantly enhanced by the activator 1,10-phenanthroline. This catalytic oxidation was monitored spectrophotometrically at 416 ​nm under ambient conditions, employing both tangent and fixed-time methods. The method's performance was optimized by investigating factors like pH, reagent concentration, temperature, and potential interferents. A linear relationship between the rate of reaction and Iridium(III) concentration was observed in the range of 0.001 ​ng–5.0 ​mg of Iridium per mL, enabling the detection of Iridium(III) down to 0.001 ​ng/mL at pH 11.7. The method's simplicity, cost-effectiveness, and sensitivity make it suitable for the determination of Iridium(III) in real-time samples, eliminating the need for additional reagents, complex procedures, or preconcentration steps.
邻羟基苯基硫脲(HPTU)在铱(III)存在下发生氧化二聚反应,形成黄色的二硫化物,活化剂 1,10-菲罗啉显著增强了这一过程。在环境条件下,采用正切法和固定时间法在 416 纳米波长处对这种催化氧化作用进行分光光度法监测。通过研究 pH 值、试剂浓度、温度和潜在干扰物等因素,对该方法的性能进行了优化。在每毫升 0.001 纳克-5.0 毫克铱的范围内,反应速率与铱(III)浓度之间呈线性关系,在 pH 值为 11.7 时,可检测到低至 0.001 纳克/毫升的铱(III)。该方法简便、经济、灵敏,适用于实时样品中铱(III)的测定,无需额外的试剂、复杂的程序或预浓缩步骤。
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引用次数: 0
Enhanced solid-state reaction synthesis of CdO, SnO, and CdO0·2/SnO0.2 hetero-junction electrode for high-performance energy storage 用于高性能储能的 CdO、SnO 和 CdO0-2/SnO0.2 异质结电极的强化固态反应合成
Pub Date : 2024-11-15 DOI: 10.1016/j.cinorg.2024.100079
Waheed Ul Hassan , Ferhan Kaleem , Muhammad Rizwan Mahmood , Dilshaid Hussain , Imtiaz Ahmad , Nawal Alghamdi , Imosobomeh L. Ikhioya
This study unveils a superior method for energy storage synthesis, employing CdO, SnO, and CdO0·2/SnO0.2 hetero-junction electrodes through enhanced solid-state reaction. The CdO and SnO electrodes with a specific capacitance of 266.66, 191.66, 166.66 ​F/g and 138.88, 122.22, and 115.07 ​F/g. The CdO0·2/SnO0.2 hetero-junction nanoparticles with a specific capacitance of 370.37, 222.22, 158.73 ​F/g. The charge storage capacity of CdO0·2/SnO0.2 hetero-junction nanoparticle electrodes is outstanding, making them highly beneficial for energy storage and supercapacitor applications. The XRD patterns obtained from the synthesized CdO0·2/SnO0.2 hetero-junction nanoparticles exhibit distinct diffraction peaks, showing a cubic crystal structure. These diffraction peaks, at 2θ values of 27.111°, 34.189°, 38.682°, 52.635°, 55.793o, 62.779o, 66.676o, and 79.496° can be attributed to the (111), (200), (211), (212), (220), (300), (22), and (311) diffraction planes of CdO0·2/SnO0.2 hetero-junction nanoparticles. The observation of a grain-like shape in the CdO0·2/SnO0.2 hetero-junction nanoparticles structure is attributed to CdO, which serves as a confirmation of the formation of a hetero-junction. The energy bandgap of CdO, SnO, and CdO0·2/SnO0.2 hetero-junction nanoparticles material are 2.50, 3.50, and 3.35 ​eV respectively.
本研究通过增强固态反应,采用氧化镉、氧化锡和 CdO0-2/SnO0.2 异质结电极,揭示了一种卓越的储能合成方法。CdO 和 SnO 电极的比电容分别为 266.66、191.66 和 166.66 F/g 以及 138.88、122.22 和 115.07 F/g。CdO0-2/SnO0.2 异质结纳米粒子的比电容分别为 370.37、222.22 和 158.73 F/g。CdO0-2/SnO0.2异质结纳米粒子电极的电荷存储容量非常突出,因此非常有利于能量存储和超级电容器的应用。从合成的 CdO0-2/SnO0.2 异质结纳米粒子获得的 XRD 图样显示出明显的衍射峰,呈现立方晶体结构。这些衍射峰的 2θ 值分别为 27.111°、34.189°、38.682°、52.635°、55.793o、62.779o、66.676o 和 79.496°,可归因于 CdO0-2/SnO0.2 异质结纳米粒子的 (111)、(200)、(211)、(212)、(220)、(300)、(22) 和 (311) 衍射平面。在 CdO0-2/SnO0.2 异质结纳米粒子结构中观察到的晶粒状形状归因于 CdO,这证实了异质结的形成。CdO、SnO 和 CdO0-2/SnO0.2 异质结纳米粒子材料的能带隙分别为 2.50、3.50 和 3.35 eV。
{"title":"Enhanced solid-state reaction synthesis of CdO, SnO, and CdO0·2/SnO0.2 hetero-junction electrode for high-performance energy storage","authors":"Waheed Ul Hassan ,&nbsp;Ferhan Kaleem ,&nbsp;Muhammad Rizwan Mahmood ,&nbsp;Dilshaid Hussain ,&nbsp;Imtiaz Ahmad ,&nbsp;Nawal Alghamdi ,&nbsp;Imosobomeh L. Ikhioya","doi":"10.1016/j.cinorg.2024.100079","DOIUrl":"10.1016/j.cinorg.2024.100079","url":null,"abstract":"<div><div>This study unveils a superior method for energy storage synthesis, employing CdO, SnO, and CdO<sub>0·2</sub>/SnO<sub>0.2</sub> hetero-junction electrodes through enhanced solid-state reaction. The CdO and SnO electrodes with a specific capacitance of 266.66, 191.66, 166.66 ​F/g and 138.88, 122.22, and 115.07 ​F/g. The CdO<sub>0·2</sub>/SnO<sub>0.2</sub> hetero-junction nanoparticles with a specific capacitance of 370.37, 222.22, 158.73 ​F/g. The charge storage capacity of CdO<sub>0·2</sub>/SnO<sub>0.2</sub> hetero-junction nanoparticle electrodes is outstanding, making them highly beneficial for energy storage and supercapacitor applications. The XRD patterns obtained from the synthesized CdO<sub>0·2</sub>/SnO<sub>0.2</sub> hetero-junction nanoparticles exhibit distinct diffraction peaks, showing a cubic crystal structure. These diffraction peaks, at 2θ values of 27.111°, 34.189°, 38.682°, 52.635°, 55.793<sup>o</sup>, 62.779<sup>o</sup>, 66.676<sup>o</sup>, and 79.496° can be attributed to the (111), (200), (211), (212), (220), (300), (22), and (311) diffraction planes of CdO<sub>0·2</sub>/SnO<sub>0.2</sub> hetero-junction nanoparticles. The observation of a grain-like shape in the CdO<sub>0·2</sub>/SnO<sub>0.2</sub> hetero-junction nanoparticles structure is attributed to CdO, which serves as a confirmation of the formation of a hetero-junction. The energy bandgap of CdO, SnO, and CdO<sub>0·2</sub>/SnO<sub>0.2</sub> hetero-junction nanoparticles material are 2.50, 3.50, and 3.35 ​eV respectively.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"4 ","pages":"Article 100079"},"PeriodicalIF":0.0,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142704374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Chemistry of Inorganic Materials
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