Inorganic Chemistry Communications最新文献

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Synthesis of low-content Mn-doped ZnO thin films: Characterizations and density functional theory studies
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113710
Elhadj Benrezgua , Rabie Amari , Ammar Boukhari , Djamel Allali , Smail Terchi , Abdelhamid Guellil , Bahri Deghfel , Abdelhalim Zoukel , Ahmad Azmin Mohamad
{"title":"Synthesis of low-content Mn-doped ZnO thin films: Characterizations and density functional theory studies","authors":"Elhadj Benrezgua ,&nbsp;Rabie Amari ,&nbsp;Ammar Boukhari ,&nbsp;Djamel Allali ,&nbsp;Smail Terchi ,&nbsp;Abdelhamid Guellil ,&nbsp;Bahri Deghfel ,&nbsp;Abdelhalim Zoukel ,&nbsp;Ahmad Azmin Mohamad","doi":"10.1016/j.inoche.2024.113710","DOIUrl":"10.1016/j.inoche.2024.113710","url":null,"abstract":"<div><div>This study aims to prepare manganese-doped zinc oxide (MZO) thin films with low Mn content (x = 0, 2, 4 %) using the sol–gel spin coating method and to characterize their structural, optical, and magnetic properties. Experimental techniques were complemented by Density Functional Theory calculations with Hubbard correction (DFT-LDA + U). All films exhibit a polycrystalline wurtzite hexagonal phase of ZnO. As the Mn doping increases, all diffraction peaks are getting weaker, which leads to deterioration in the crystallinity of the samples. Furthermore, Mn doping affects the grain size (57.44–38.20 nm), the surface morphology (rms: 45.24–30.47 nm), the transmittance (93–54 %) and the optical band gap energy (<em>E<sub>g</sub></em>: 3.27–3.18 eV). Photoluminescence spectra reveals ultraviolet peaks (386–395 nm) along with weak green (525 nm) and strong (438 nm) and weak (475 nm) blue peaks. DFT-LDA + U calculations exhibits an antiferromagnetic phase with slightly reduced <em>E<sub>g</sub></em> (3.379 eV for x = 0 % and 3.267 for 3.7 %), attributed to the influence of Mn3d states near the Fermi level. This study presents a comprehensive analysis of low-content Mn-doped ZnO thin films by combining experimental and theoretical approaches. The findings provide valuable insights into the electronic, structural, optical, and magnetic properties of MZO, emphasizing the critical role of Mn 3d states in altering the magnetic behavior and adjusting <em>E<sub>g</sub></em>.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113710"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chenopodium exsuccum plant extract for green zinc oxide nanoparticles synthesis: Photocatalytic titan yellow degradation and antioxidant and antibacterial properties
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113724
Abdessalem Badri , Siwar El Ghali , Inmaculada Alvarez-Serrano , Kaled Hemden , Faouzi Aloui , Malek Gassoumi
{"title":"Chenopodium exsuccum plant extract for green zinc oxide nanoparticles synthesis: Photocatalytic titan yellow degradation and antioxidant and antibacterial properties","authors":"Abdessalem Badri ,&nbsp;Siwar El Ghali ,&nbsp;Inmaculada Alvarez-Serrano ,&nbsp;Kaled Hemden ,&nbsp;Faouzi Aloui ,&nbsp;Malek Gassoumi","doi":"10.1016/j.inoche.2024.113724","DOIUrl":"10.1016/j.inoche.2024.113724","url":null,"abstract":"<div><div>Cow dung was used as fuel in the synthesis of zinc oxide nanoparticles <em>via</em> a one-pot combustion method, emphasizing simplicity and environmental friendliness. The synthesized nanoparticles underwent thorough characterization using XRD, FTIR, XPS, UV, EDX and TEM techniques. To evaluate their photocatalytic effectiveness, Titan yellow (TY) dye was chosen as a model pollutant. The study systematically investigated the photocatalytic efficiency and degradation kinetics of the ZnO nanoparticles. Under sunlight, the nanoparticles exhibited significant removal efficiencies, achieving 69 % degradation of TY. A plausible photocatalytic mechanism for these outcomes was also proposed. Overall, the environmentally friendly synthesis of the target photocatalyst demonstrates promising potential for applications in wastewater treatment and other ecological contexts. ZnO NPs derived from <em>Chenopodium exsuccum</em> shown remarkable antibacterial efficacy against a range of pathogens, including Gram-positive (<em>Staphylococcus aureus</em>, <em>Micrococcus luteus</em>) and Gram-negative (<em>Klebsiella pneumoniae</em>, <em>Escherichia coli</em>). Furthermore, the nanoparticles demonstrated noteworthy antioxidant efficacy through the removal of 1,1-Diphenyl-2-picrylhydrazyl (DPPH) free radicals. This demonstrates their potential utility in preventing damage caused by oxidative stress and various diseases related to stress.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113724"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural, optical, chromaticity, and magnetic properties of uncapped and reduced graphene oxide (rGO) capped-β-Ni(OH)2 nanostructures for spintronic devices, and LED applications
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113720
J. Gajendiran , J. Ramana Ramya , S. Gnanam , R. Suresh , G. Thennarasu
{"title":"Structural, optical, chromaticity, and magnetic properties of uncapped and reduced graphene oxide (rGO) capped-β-Ni(OH)2 nanostructures for spintronic devices, and LED applications","authors":"J. Gajendiran ,&nbsp;J. Ramana Ramya ,&nbsp;S. Gnanam ,&nbsp;R. Suresh ,&nbsp;G. Thennarasu","doi":"10.1016/j.inoche.2024.113720","DOIUrl":"10.1016/j.inoche.2024.113720","url":null,"abstract":"<div><div>The motivation of this work is that uncapped and reduced graphene oxide (rGO) capped-nickel hydroxide (β-Ni(OH)<sub>2</sub>) were prepared by processing hydrothermal method to scrutinize the spintronic-based devices and LED applications. For the aforementioned related application properties, we are testing the vibrating sample magnetometer (VSM), photoluminescence, and colouring type studies. In addition, synthesized compounds crystalline structure, particle morphology, binding vibrational molecules and elements, and optical band gap were experimentally found with the selected tools, such as XRD, FT-IR, FE-SEM, EDX, and UV–visible spectra analysis. The results from the aforementioned studies, showed that rGO capped-β-Ni(OH)<sub>2</sub> sample had tuned crystalline diffraction intensity, particle size and band gap values when compared to the of uncapped rGO-β-Ni(OH)<sub>2</sub>.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113720"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102729","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation on synthesis, crystal growth, structure, NLO properties, and computational studies of an inorganic-organic hybrid material: Tetrabromo zincate(II) piperazinium
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113620
K. Boopathi , A. Suvitha , R. Jagan , P. Ramasamy
{"title":"Investigation on synthesis, crystal growth, structure, NLO properties, and computational studies of an inorganic-organic hybrid material: Tetrabromo zincate(II) piperazinium","authors":"K. Boopathi ,&nbsp;A. Suvitha ,&nbsp;R. Jagan ,&nbsp;P. Ramasamy","doi":"10.1016/j.inoche.2024.113620","DOIUrl":"10.1016/j.inoche.2024.113620","url":null,"abstract":"<div><div>Single crystals of non-centro symmetric inorganic–organic hybrid material, tetrabromozincate(II) (Piperazinium) [TBZP] have been investigated by the combined approach of the experimental and computational methods. A re-determination of crystal structure of the title compound crystal grown by slow evaporation method and the solid-state properties of the crystal was studied. Single-crystal X-ray diffraction analysis shows that the compound crystallized in the orthorhombic crystal system with non-centrosymmetric space group P2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The title compound structure is made up of isolated [ZnBr<sub>4</sub>]<sup>2-</sup> anions and piperazinium [C<sub>4</sub>H<sub>12</sub>]<sup>2+</sup> cations linked together by N-H•••Br hydrogen bonds. The existence of the functional group in the produced molecule is demonstrated by the infrared spectra. The UV–Vis-NIR analysis indicates that the synthesized crystal exhibits good transparency between 230 and 1100 nm in wavelength range. The thermal properties of the formed crystal were determined using thermogravimetric measurements. The Kurtz and Perry method was used to calculate the second-order harmonic generating efficiency, which came out to be 1.5 times greater than KDP. The solid-state density functional theory computations have been adapted with the B3LYP/LanL2DZ level and extensively investigated.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113620"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Formulation and evaluation of anti-rheumatoid arthritis effects of Ag nanoparticles containing Allium sativum L. Leaf extract
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113688
Xuezhen Zhang , Zhipeng Diao , Sara Amirpour Amraii , Mika Sillanpää , Reza Toushmalani
{"title":"Formulation and evaluation of anti-rheumatoid arthritis effects of Ag nanoparticles containing Allium sativum L. Leaf extract","authors":"Xuezhen Zhang ,&nbsp;Zhipeng Diao ,&nbsp;Sara Amirpour Amraii ,&nbsp;Mika Sillanpää ,&nbsp;Reza Toushmalani","doi":"10.1016/j.inoche.2024.113688","DOIUrl":"10.1016/j.inoche.2024.113688","url":null,"abstract":"<div><div>Rheumatoid arthritis is a persistent inflammatory disorder that typically impacts individuals aged 20 to 40. It is characterized by inflammation of the synovial membrane, degradation of cartilage, and joint pain among its various symptoms. Researchers have recently developed, analyzed, and altered biomarkers and nanomaterials that are frequently employed to improve the diagnostic and therapeutic approaches for rheumatoid arthritis. Here, we have created and formulated a novel therapeutic agent that incorporates silver nanoparticles@<em>Allium sativum</em> L. leaves to treat arthritis. The characterization of silver nanoparticles (AgNPs) was performed utilizing various techniques. The FE-SEM and TEM images demonstrated that the majority of these nanoparticles exhibited a spherical shape (10 to 50 nm). Additionally, a notable peak at a wavelength of 403 nm in the UV–Vis spectrum confirmed the successful formulation of the Ag NPs. The antioxidant assay revealed that the IC<sub>50</sub> values for the silver nanoparticles@<em>Allium sativum</em> L. and BHT in relation to DPPH were 21 and 44 µg/mL, respectively. <em>In vivo</em> assessments were performed utilizing models involving formaldehyde, CFA, and turpentine oil at various dosage levels. Silver nanoparticles@<em>Allium sativum</em> L. exhibited anti-arthritic properties with the most significant potential observed at 1 mg/kg. Data from the CFA model revealed a more substantial protective effect on arthritic lesions and alterations in body weight. The recent results indicates the recovery of rheumatoid arthritis criteria including synovial cavity swelling and edema inhibition percentage in turpentine test, paw diameter in CFA test and paw edema in formaldehyde test. In conclusion, these data support the administration of silver nanoparticles as potent therapeutic agents for rheumatoid arthritis treatment in humans.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113688"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A comprehensive investigation involving numerous HTL and ETL layers to design and simulate high-efficiency Ca3AsI3-based perovskite solar cells
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113647
Md. Selim Reza , Avijit Ghosh , Abdelaziz Gassoumi , Md Rafid Hasan , Mohammad Shahjalal , Abul Kashem Mohammad Yahia , Md. Shamim Reza , Ripan Kumar Prodhan , Md Majharul Islam , Md Jakaria Talukder , Aijaz Rasool Chaudhry , Mst. Mohona Akter
{"title":"A comprehensive investigation involving numerous HTL and ETL layers to design and simulate high-efficiency Ca3AsI3-based perovskite solar cells","authors":"Md. Selim Reza ,&nbsp;Avijit Ghosh ,&nbsp;Abdelaziz Gassoumi ,&nbsp;Md Rafid Hasan ,&nbsp;Mohammad Shahjalal ,&nbsp;Abul Kashem Mohammad Yahia ,&nbsp;Md. Shamim Reza ,&nbsp;Ripan Kumar Prodhan ,&nbsp;Md Majharul Islam ,&nbsp;Md Jakaria Talukder ,&nbsp;Aijaz Rasool Chaudhry ,&nbsp;Mst. Mohona Akter","doi":"10.1016/j.inoche.2024.113647","DOIUrl":"10.1016/j.inoche.2024.113647","url":null,"abstract":"<div><div>A lot of people are interested in inorganic cubic Calcium-Arsenic-Iodide perovskites because of their unique electronic, structural, and visual properties. This research explores new hybrid perovskite solar cells (HPSCs) based on Calcium-Arsenic-Iodide (Ca<sub>3</sub>AsI<sub>3</sub>) with various wide-energy-gap chalcogenide electron transport layers (ETLs) (IGZO, ZnO, SnO<sub>2,</sub> and TiO<sub>2</sub>) and several hole transport layers (HTLs) (Sb<sub>2</sub>S<sub>3</sub>, P<sub>3</sub>HT, and CuO). Initially, the optimal ETL was selected, and its thickness was varied in the SCAPS-1D simulator to determine its impact on device performance. A detailed study was carried out on three devices (device-I (Al/FTO/ZnO/Ca<sub>3</sub>AsI<sub>3</sub>/Sb<sub>2</sub>S<sub>3</sub>/Ni), device-II (Al/FTO/ZnO/Ca<sub>3</sub>AsI<sub>3</sub>/P<sub>3</sub>HT/Ni), and device III (Al/FTO/ZnO/Ca<sub>3</sub>AsI<sub>3</sub>/CuO/Ni)) using the most promising ETL, which was ZnO. The effects of key parameters like doping concentration, layer depth, defect density, operating thermal level, and interface defect density were thoroughly investigated. Finally, a comprehensive investigation of several presented composite structures was conducted to establish the benchmark for the latest effective Ca<sub>3</sub>AsI<sub>3</sub>-based photocell. The top power conversion efficiency (PCE) achieved 29.12 % for the device −I, having a value of V<sub>OC</sub> 1.281 V, a value of J<sub>SC</sub> 25.387 mA/cm<sup>2</sup>, and a value of fill factor (FF) 89.48 %. In evaluation, PCEs of 26.39 % and 21.25 % were acquired for devices II and III, respectively. Furthermore, quantum efficiency (QE%), the electron hole, the generation, recombination rates, and series-shunt resistance characteristics were examined in detail. Therefore, the device-I exhibits great promise for integration into Ca<sub>3</sub>AsI<sub>3</sub>-based hybrid perovskite high-performance photovoltaic devices.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113647"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143103216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Copper doped BaTaO2N as a prospective electrode material for supercapacitors
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113674
Saisupriyalakshmi Saravanan , Anit Joseph , Harish Kuruva , Kousika Anbalagan , Sreeram K. Kalpathy , Tiju Thomas
{"title":"Copper doped BaTaO2N as a prospective electrode material for supercapacitors","authors":"Saisupriyalakshmi Saravanan ,&nbsp;Anit Joseph ,&nbsp;Harish Kuruva ,&nbsp;Kousika Anbalagan ,&nbsp;Sreeram K. Kalpathy ,&nbsp;Tiju Thomas","doi":"10.1016/j.inoche.2024.113674","DOIUrl":"10.1016/j.inoche.2024.113674","url":null,"abstract":"<div><div>Perovskite oxynitride materials find wide applications in energy storage and conversion. In this work, we have developed copper doped Barium tantalum oxynitride (BaTaO<sub>2</sub>N) for electrochemical energy storage in supercapacitors. The material was synthesized using a green and facile “soft urea synthesis” method. Further, its crystal structure, morphology and dopant atom composition were characterized. Defect energetics calculations were performed to examine the lattice stability and nitrogen fixation in copper doped BaTaO<sub>2</sub>N. The symmetric supercapacitive behaviour of the material was studied in detail. The material delivered a specific capacitance of 944 F/g at 1 A/g. The device delivers a maximum energy density of 24Wh/kg and a maximum power density of 9.8 kW/kg. The leakage current for the symmetric device was 0.65 mA. Overall, the present work reports the development of a novel transition metal doped perovskite oxynitride for supercapacitor applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113674"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143103550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent advancements in polythiophene-based adsorbents for heavy metal ion removal: Modification, kinetics and mechanistic insights
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113657
Parul Rana , Balvinder Kaur , Komal Poonia , Vatika Soni , Pardeep Singh , Sourbh Thakur , Chao-Wei Huang , Van-Huy Nguyen , Pankaj Raizada
{"title":"Recent advancements in polythiophene-based adsorbents for heavy metal ion removal: Modification, kinetics and mechanistic insights","authors":"Parul Rana ,&nbsp;Balvinder Kaur ,&nbsp;Komal Poonia ,&nbsp;Vatika Soni ,&nbsp;Pardeep Singh ,&nbsp;Sourbh Thakur ,&nbsp;Chao-Wei Huang ,&nbsp;Van-Huy Nguyen ,&nbsp;Pankaj Raizada","doi":"10.1016/j.inoche.2024.113657","DOIUrl":"10.1016/j.inoche.2024.113657","url":null,"abstract":"<div><div>The enhanced environmental contamination of heavy metals has inclined researchers towards enhancing adsorbents. In this regard, Polythiophene (PTh)-based adsorbents have been noticed because of their conjugated polymer structure that makes them have effective delocalized π-system and sulfur-substituted thiophene rings for the adsorption of the heavy metal ions. PTh and its composites have been explored as effective adsorbents to capture heavy metal ions from wastewater because of their high conductivity, chemical stability, and modification ability. These materials can be functionalized with different chemical moieties to improve their adsorption capacities, selectivity, and reusability, making them an ideal candidate for sustainable water treatment technologies. An overview of various adsorbent heavy metal ion removal methods followed by the in-depth analysis of PTh structure, properties, and fabrication techniques. The review highlights the substantial improvement in adsorption capacity and selectivity achieved through modifications enhancing the adsorbent ability to form strong coordination bonds with metal ions. Furthermore, this comprehensive review delves into kinetic and mechanistic insights wherein chemical adsorption is identified as the predominant mechanism for heavy metal capture. The high regeneration ability of modified PTh is also explored, suggesting its potential as a sustainable and efficient solution for large-scale environmental remediation. Despite the effectiveness and recyclability of PTh-based adsorbents, challenges such as economic viability and large-scale application costs of adsorbents are highlighted.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113657"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143163772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced efficiency of the electrode by doping of neodymium on SmFeO3 for the application of supercapacitor
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113680
Muhammad Imtiaz , Soumaya Gouadria , Abdullah G. Al-Sehemi , Abhinav Kumar
{"title":"Enhanced efficiency of the electrode by doping of neodymium on SmFeO3 for the application of supercapacitor","authors":"Muhammad Imtiaz ,&nbsp;Soumaya Gouadria ,&nbsp;Abdullah G. Al-Sehemi ,&nbsp;Abhinav Kumar","doi":"10.1016/j.inoche.2024.113680","DOIUrl":"10.1016/j.inoche.2024.113680","url":null,"abstract":"<div><div>In response to growing demand for the renewable energy generating and storage systems, scientists are trying to synthesized electrode material with exceptional performance. Their primary objective was to develop portable intelligent technology gadgets that could guarantee global energy security. In the reported article, the SmFeO<sub>3</sub> with Nd-doped material was manufactured by cost-effective hydrothermal method for the application of a supercapacitor. The results demonstrate that the existence of larger surface area improves electrical conduction and improves the electrons and ions pathway, resulting in a rapid charge storage device and greatly enhancing the electrical performance. The pristine SmFeO<sub>3</sub> electrode achieved capacitance of 746.3 F g<sup>−1</sup>, and the Nd-doped SmFeO<sub>3</sub> electrode achieved a heightened capacitance of 1455.9 F g<sup>−1</sup> at 1 A g<sup>−1</sup>. Further, the pristine SmFeO<sub>3</sub> electrode demonstrated low cyclic retention after the 5000th charging/discharging cycles, while the Nd-doped SmFeO<sub>3</sub> electrode demonstrated significant cyclic retention. In addition, the material fabricated attained a significant capacitance of 923.9 F g<sup>−1</sup> at 10 mV s<sup>−1</sup> during cyclic voltammetry measurements. The exceptional performance of dopant materials suggests their promising conductivity and quick electron/ion transport factors in its exceptional performance made it an excellent electrode for energy storage devices as well as suitability for future-generation energy conversion by surpassing the reliance on perovskite-type structural materials.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113680"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143163773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structures, DFT and fluorimetric study of a dual nature Schiff base chemosensor for detection of Cu2+ and Ce4+ ions in aqueous media
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113666
Muhammad Shahbaz , Shahzad Sharif , Fouzia Perveen Malik , Javed Hussain Shah , Anum Arooj , Onur Şahin , Bilal Riaz , Birra Dar , Islam Ullah Khan
{"title":"Crystal structures, DFT and fluorimetric study of a dual nature Schiff base chemosensor for detection of Cu2+ and Ce4+ ions in aqueous media","authors":"Muhammad Shahbaz ,&nbsp;Shahzad Sharif ,&nbsp;Fouzia Perveen Malik ,&nbsp;Javed Hussain Shah ,&nbsp;Anum Arooj ,&nbsp;Onur Şahin ,&nbsp;Bilal Riaz ,&nbsp;Birra Dar ,&nbsp;Islam Ullah Khan","doi":"10.1016/j.inoche.2024.113666","DOIUrl":"10.1016/j.inoche.2024.113666","url":null,"abstract":"<div><div>A dual nature Schiff base chemosensor“3,5-bis(((2-hydroxynaphthalen-1-yl)methylene)amino) benzoic acid” (3,5-BHNMABA) was synthesized and characterized by single crystal X-rays diffraction. The interaction of the photophysical properties of the ligand with various metal ions (aqueous) was extensively analyzed through fluorescence spectrophotometry. E<sub>HOMO</sub>-E<sub>LUMO</sub> energy gap and molecular electrostatic potential study was performed by DFT calculations. Strong quenching in emission was observed for Cu<sup>2+</sup> and Ce<sup>4+</sup> ions. Binding ratio between Cu<sup>2+</sup>/Ce<sup>4+</sup> ions with ligand was calculated by Job’s plot. LOD and LOQ were calculated as 7.92 × 10<sup>-6</sup> M and 2.40 × 10<sup>-5</sup> M for Cu<sup>2+</sup> ions whereas 5.9 × 10<sup>-6</sup> M and 1.97 × 10<sup>-5</sup> M for Ce<sup>4+</sup> ions.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113666"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143163774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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