Journal of Inorganic and Organometallic Polymers and Materials最新文献

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Nanostructural Characteristics of TiO2/ZnO Nanocomposites and Their Cytotoxicity at Ultralow Concentrations TiO2/ZnO纳米复合材料的纳米结构特性及其在超低浓度下的细胞毒性
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-24 DOI: 10.1007/s10904-025-03678-8
Adlia Ebrahimikia, Ali Bahari, Mozhde Roeinfard
{"title":"Nanostructural Characteristics of TiO2/ZnO Nanocomposites and Their Cytotoxicity at Ultralow Concentrations","authors":"Adlia Ebrahimikia,&nbsp;Ali Bahari,&nbsp;Mozhde Roeinfard","doi":"10.1007/s10904-025-03678-8","DOIUrl":"10.1007/s10904-025-03678-8","url":null,"abstract":"<div><p>While TiO<sub>2</sub> and ZnO nanomaterials have shown promising cytotoxic activities in cancer treatment studies, they did not achieve the same results as for low concentrations. Here, TiO<sub>2</sub>/ZnO nanocomposites are synthesized using a sol-gel method, and characterized in terms of crystal structure, morphology, composition, and chemical state by various techniques. The resulting nanocomposites with different TiO<sub>2</sub>/ZnO molar ratios (90:10 and 50:50) are examined for their cytotoxic effects on colon cancer HT29 cell lines using MTT assay and flow cytometry analysis, taking into consideration the tumor selectivity, potency selectivity expression, apoptosis, necrosis, and viability of the cells. The results obtained show that the TiO<sub>2</sub>/ZnO (50:50) nanocomposite with fine crystallite size and clustered morphology is able to significantly reduce the percentage of viable cells (28.79 ± 2%) compared to the control sample (99.4 ± 5.4%) at ultralow concentrations (≤ 10 µg/ml). Meanwhile, the late apoptosis, early apoptosis, and necrosis values of the cells are found to be 12.86 ± 1.1%, 58.25 ± 0.3%, and 0.10 ± 0.05%, respectively. Accordingly, the TiO<sub>2</sub>/ZnO nanocomposite with high cytotoxicity can be used as an appropriate candidate for medical applications in order to effectively eliminate the colorectal cancer cells.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6546 - 6560"},"PeriodicalIF":4.9,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021582","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
Influence of La-Substitution and SiO2 Additives on Structure, Magnetic and High Frequency Dielectric Properties of Co2W Hexagonal Ferrites Synthesized by Sol–Gel Auto-Combustion Method la -取代和SiO2添加剂对溶胶-凝胶自燃烧法合成Co2W六方铁氧体结构、磁性和高频介电性能的影响
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-23 DOI: 10.1007/s10904-024-03527-0
Mukhtar Ahmad, Muhammad Iqbal Asif, Nidhal Drissi, Azhar Saleem, Rizwan ul Hassan, M. Musa Saad H.-E
{"title":"Influence of La-Substitution and SiO2 Additives on Structure, Magnetic and High Frequency Dielectric Properties of Co2W Hexagonal Ferrites Synthesized by Sol–Gel Auto-Combustion Method","authors":"Mukhtar Ahmad,&nbsp;Muhammad Iqbal Asif,&nbsp;Nidhal Drissi,&nbsp;Azhar Saleem,&nbsp;Rizwan ul Hassan,&nbsp;M. Musa Saad H.-E","doi":"10.1007/s10904-024-03527-0","DOIUrl":"10.1007/s10904-024-03527-0","url":null,"abstract":"<div><p>The technique employed to prepare nanostructured powder of La-substituted barium ferrite of W-type, BaCo<sub>2</sub>La<sub>x</sub>Fe<sub>16-x</sub>O<sub>27</sub> (x = 0, 0.1) and BaCo<sub>2</sub>La<sub>0.1</sub>Fe<sub>15.9</sub>O<sub>27</sub>/SiO<sub>2</sub> is sol gel autocombustion in this research study. This study has the objective to observe the influence of SiO<sub>2</sub> and La-substitution on dielectric, magnetic in addition to structural parameters of W-type hexagonal lattice. All the samples sintered at 1000 °C have hexagonal crystal structure as observed by X-ray Diffraction patterns, in addition, the diffraction peaks of SiO<sub>2</sub> were not observed due to its amorphous nature. Fourier transform infrared spectroscopy provides indication of co-existence of SiO<sub>2</sub> along with two typical absorption bands for hexa-ferrites. The grain sizes and microstructures of all samples were observed by scanning electron microscopy that have range in nanometers. Vibrating sample magnetometer was used to determine the magnetic parameters including remanence (M<sub>r</sub>), saturation magnetization (M<sub>s</sub>), coercivity (H<sub>c</sub>), anisotropy constant, magnetic moments (n<sub>B</sub>) and anisotropy field. The measured AC susceptibility of hexagonal ferrites was observed to decrease with increasing temperature and shows a minimum value at Curie temperature (T<sub>c</sub>). After substituting lanthanum (La) and adding SiO<sub>2</sub> in the samples, the reduction in T<sub>c</sub> was also observed which might be due to the nonmagnetic nature of these constituents. The values of dielectric constant and dielectric loss were observed to decrease when frequency was increased and increased with increase in temperature following the Maxwell Wagner model. The addition of SiO<sub>2</sub> and La-substitution in hexaferrites increased DC resistivity to make these materials suitable for high frequency microwave devices such as dielectric resonators etc.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 6","pages":"4368 - 4382"},"PeriodicalIF":4.9,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145168464","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
Electrochemical Performance of V2O5//f-CNT Asymmetric Flexible Device for Supercapacitor Application 超级电容器用V2O5//f-CNT非对称柔性器件的电化学性能
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-22 DOI: 10.1007/s10904-025-03647-1
Mamta Bulla, Vinay Kumar, Raman Devi, Sunil Kumar, Sarita Sindhu, Rita Dahiya, Anushree Jatrana, Ajay Kumar Mishra, Raj Bahadur Singh
{"title":"Electrochemical Performance of V2O5//f-CNT Asymmetric Flexible Device for Supercapacitor Application","authors":"Mamta Bulla,&nbsp;Vinay Kumar,&nbsp;Raman Devi,&nbsp;Sunil Kumar,&nbsp;Sarita Sindhu,&nbsp;Rita Dahiya,&nbsp;Anushree Jatrana,&nbsp;Ajay Kumar Mishra,&nbsp;Raj Bahadur Singh","doi":"10.1007/s10904-025-03647-1","DOIUrl":"10.1007/s10904-025-03647-1","url":null,"abstract":"<div><p>The advancement of flexible supercapacitors has been constrained by the inherent difficulty of fabricating flexible electrodes. In this work, the V<sub>2</sub>O<sub>5</sub> nanostructures were synthesized at different temperatures (120–200 °C) via hydrothermal treatment, followed by calcination, resulting in materials with high porosity and optimized electrochemical properties. The fabricated electrode (synthesized V<sub>2</sub>O<sub>5</sub> at 180 °C) shows a maximum capacitance (178.5 F g⁻<sup>1</sup> at 1 A g⁻<sup>1</sup> current density) compared to other prepared samples 1 in a 1.0 M Na<sub>2</sub>SO<sub>4</sub> aqueous electrolyte. For practical applications, V<sub>2</sub>O<sub>5</sub> nanostructures were integrated with f-CNTs to fabricate the V<sub>2</sub>O<sub>5</sub>//f-CNT asymmetric supercapacitor device, achieving a specific capacitance of 104.4 F g⁻<sup>1</sup> at 1 A g⁻<sup>1</sup> within a 1.6 V voltage window, signifying improved charge storage capabilities. The device achieved an energy density of 37.12 Wh kg⁻<sup>1</sup> and a power density of 800 W kg⁻<sup>1</sup> at 1 A g⁻<sup>1</sup>. The synergistic integration of Faradaic reactions from V₂O₅ with the EDL capacitance of f-CNTs enabled the device to retain 91.2% of its capacitance after 2000 GCD cycles, with enhanced performance sustained up to 5000 cycles. Furthermore, the device demonstrated remarkable flexibility, losing only 4.3% of its capacitance when bent at a 90° angle, underscoring its potential as a high-performance energy storage solution.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6176 - 6190"},"PeriodicalIF":4.9,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021694","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
Dispersive Solid Phase Extraction of Nerve Agent Metabolites from Biomedical Samples Using Functionalized Dendritic Fibrous Nanosilica Spheres 功能化树枝状纤维纳米二氧化硅球分散固相萃取生物医学样品中神经毒剂代谢物
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-22 DOI: 10.1007/s10904-025-03632-8
Ashish Kumari, Mahabul Shaik, Avik Mazumder, Chandrakant Waghmare, Subham Prasad Gupta, Meehir Palit
{"title":"Dispersive Solid Phase Extraction of Nerve Agent Metabolites from Biomedical Samples Using Functionalized Dendritic Fibrous Nanosilica Spheres","authors":"Ashish Kumari,&nbsp;Mahabul Shaik,&nbsp;Avik Mazumder,&nbsp;Chandrakant Waghmare,&nbsp;Subham Prasad Gupta,&nbsp;Meehir Palit","doi":"10.1007/s10904-025-03632-8","DOIUrl":"10.1007/s10904-025-03632-8","url":null,"abstract":"<div><p>A method for efficient extraction, fast derivatization and sensitive detection of metabolite/hydrolysis products of nerve agents, i.e. alkyl alkylphosphonic acids (AAPAs) using functionalized dendritic fibrous nanosilica spheres (FSQ) utilizing dispersive solid phase extraction (DSPE) from biomedical samples was developed. AAPAs are the unequivocal indicators of exposure to nerve agents and serve as potential and primary biomarkers of exposure. To efficiently extract AAPAs from biomedical samples, the dendritic fibrous nanosilica spheres were modified by grafting quaternary amine moieties on the surface and an anion exchange process performed the extraction. The prepared FSQ was characterized by transmission electron microscopy (TEM), zeta potential measurements, Fourier transform infrared spectroscopy (FT-IR) and thermogravimetric analysis (TGA). The extracted analytes from biomedical samples were derivatized using 3,5-bis(trifluoromethyl)benzyl diazomethane. The obtained derivatives were analyzed using GC-MS/MS (SRM) in NICI mode. The proposed method showed excellent analytical characteristics such as high extraction efficiency of AAPAs from urine samples (60–96%), especially at an ultra-trace level, low detection limits (0.05 ppb/50 ppt) and good linearity (0.1 ppb to 50 ppb).</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 7","pages":"5941 - 5953"},"PeriodicalIF":4.9,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868834","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
Lead-Free Double Halide Perovskite Compounds: Unveiling the Structural, Optoelectronic, and Transport Properties of A2TlRhF6 (A = K, Rb) for Robust and Sustainable Green Energy Applications 无铅双卤化物钙钛矿化合物:揭示A2TlRhF6 (A = K, Rb)的结构、光电和输运性质,用于稳健和可持续的绿色能源应用
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-22 DOI: 10.1007/s10904-025-03666-y
Abrar Nazir, Arti Saxena, Ejaz Ahmad Khera, Mumtaz Manzoor, Ramesh Sharma, Ahmed Ahmed Ibrahim, Mohammed A. El-Meligy, Barno Abdullaeva
{"title":"Lead-Free Double Halide Perovskite Compounds: Unveiling the Structural, Optoelectronic, and Transport Properties of A2TlRhF6 (A = K, Rb) for Robust and Sustainable Green Energy Applications","authors":"Abrar Nazir,&nbsp;Arti Saxena,&nbsp;Ejaz Ahmad Khera,&nbsp;Mumtaz Manzoor,&nbsp;Ramesh Sharma,&nbsp;Ahmed Ahmed Ibrahim,&nbsp;Mohammed A. El-Meligy,&nbsp;Barno Abdullaeva","doi":"10.1007/s10904-025-03666-y","DOIUrl":"10.1007/s10904-025-03666-y","url":null,"abstract":"<div><p>The structural, optoelectronic, and thermoelectric features of A<sub>2</sub>TlRhF<sub>6</sub> (A = K, Rb) have been computed using the most versatile DFT-dependent FP-LAPW method. The calculated structural parameters, including formation energy, tolerance factor, and energy versus optimized volume plots, provide clear evidence of the structural and thermodynamic stability of the studied compounds. The results of band structure and density of states (DOS) reveal that studied compounds are semiconducting materials. The energy band gap of 2.98 eV and 2.97 eV has been found for K<sub>2</sub>TlRhF<sub>6</sub> and Rb<sub>2</sub>TlRhF<sub>6</sub> respectively. The optical properties of the compounds are studied with incident photon energy. The maximum absorption and minimum reflectivity and loss explore its effective application in optical devices. The compounds absorption in the UV-visible range makes them ideal candidates for solar cells. In addition, transport properties are examined in detail, demonstrating significant dependence on temperature and chemical potential as demonstrated by the assessed thermoelectric parameters. In order to evaluate the transport features versus the chemical potential and temperature, the power factor (PF), thermal conductivity, figure of merit, electrical conductivity, and Seebeck coefficient are computed. Our outcomes can be useful for future experimental studies to evaluate A<sub>2</sub>TlRhF<sub>6</sub> (A = K, Rb) for applications involving energy from renewable sources.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6422 - 6439"},"PeriodicalIF":4.9,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021765","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
Investigating the Physical Characteristics of Halide Double Perovskites X2LiSbI6 (X = K, Cs): A First-Principles Approach 卤化物双钙钛矿X2LiSbI6 (X = K, Cs)物理特性的第一性原理研究
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-21 DOI: 10.1007/s10904-024-03560-z
Masoofa Akhtar, Faisal Katib Alanazi, Muhammad Sajid, Sahar Abdalla, Soufyane Belhachi,  Nasarullah, Mubashir Nazar, Sadia Murtaza, Syed Muhammad Kazim Abbas Naqvi, Afaf Khadr Alqorashi, Yazen M. Alawaideh, Muhammad Faizan, Muhammad Shiraz Ahmad
{"title":"Investigating the Physical Characteristics of Halide Double Perovskites X2LiSbI6 (X = K, Cs): A First-Principles Approach","authors":"Masoofa Akhtar,&nbsp;Faisal Katib Alanazi,&nbsp;Muhammad Sajid,&nbsp;Sahar Abdalla,&nbsp;Soufyane Belhachi,&nbsp; Nasarullah,&nbsp;Mubashir Nazar,&nbsp;Sadia Murtaza,&nbsp;Syed Muhammad Kazim Abbas Naqvi,&nbsp;Afaf Khadr Alqorashi,&nbsp;Yazen M. Alawaideh,&nbsp;Muhammad Faizan,&nbsp;Muhammad Shiraz Ahmad","doi":"10.1007/s10904-024-03560-z","DOIUrl":"10.1007/s10904-024-03560-z","url":null,"abstract":"<div><p>This research presents the structural, dynamic, mechanical, optoelectronic, and thermoelectric (TE) features and energy storage potential of new halide double perovskite (HDPs) X<sub>2</sub>LiSbI<sub>6</sub> (X = K, Cs) utilizing the modified Becke-Johnson potential (mBJ) within DFT. The materials’ thermal stability was assessed through thermodynamical factors and formation enthalpy calculations and dynamical stability was confirmed by phonon dispersion curves. The brittle nature of Cs<sub>2</sub>LiSbI<sub>6</sub> and ductile nature of K<sub>2</sub>LiSbI<sub>6</sub> were validated by analyzing their mechanical properties. The indirect band gaps (E<sub>g</sub>) for K<sub>2</sub>LiSbI<sub>6</sub> and Cs<sub>2</sub>LiSbI<sub>6</sub> calculated using mBJ potential are 2.2 eV and 2.1 eV, correspondingly. Optical features were analyzed to determine the suitability of these halides for photovoltaic devices. The optical absorption α(ω) graph shows largest values at 9.24 and 9.81 eV for Cs<sub>2</sub>LiSbI<sub>6</sub> and K<sub>2</sub>LiSbI<sub>6</sub>, respectively. The BoltzTraP code was utilized to calculate TE properties, which revealed thermal energy conversion mechanisms and efficiency by evaluating thermoelectric characteristics. The TE efficiency parameter (zT) shows maximum values to be 0.73 at 750 K for Cs<sub>2</sub>LiSbI<sub>6</sub> and 0.71 at 600 K for K<sub>2</sub>LiSbI<sub>6</sub>. It indicates their suitability for energy harvesting technologies. Findings show that these HDPs demonstrate significant potential for applications in energy-efficient devices, optoelectronic technologies, and TE systems.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 6","pages":"4810 - 4824"},"PeriodicalIF":4.9,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145167800","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
The Synergistic Effect of Chlorine Doping and Oxygen Vacancies over SnO2 Photocatalysts for Effectively Degrading Methyl Orange 氯掺杂和氧空位对SnO2光催化剂有效降解甲基橙的协同作用
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-21 DOI: 10.1007/s10904-025-03671-1
He Zhao, Bocheng Meng, Yanhong Wang, Shikai Zhao
{"title":"The Synergistic Effect of Chlorine Doping and Oxygen Vacancies over SnO2 Photocatalysts for Effectively Degrading Methyl Orange","authors":"He Zhao,&nbsp;Bocheng Meng,&nbsp;Yanhong Wang,&nbsp;Shikai Zhao","doi":"10.1007/s10904-025-03671-1","DOIUrl":"10.1007/s10904-025-03671-1","url":null,"abstract":"<div><p>The wide bandgap of SnO<sub>2</sub> photocatalyst limits its application in the field of solar photocatalysis. In this article, it is proposed to introduce oxygen vacancies and Cl ion doping to synergistically enhance the photocatalytic activity of SnO<sub>2</sub> degradation of MO under solar irradiation. This article describes the rapid preparation of efficient SnO<sub>2</sub> photocatalysts through a simple solid-phase reaction method, utilizing SnCl<sub>2</sub>·2H<sub>2</sub>O and hydrogen peroxide disinfectant (with H<sub>2</sub>O<sub>2</sub> as the reactive substance) powder as raw materials. The physicochemical properties of the synthesized SnO<sub>2</sub> were investigated using powder X-ray diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Diffuse Reflectance Spectroscopy (DRS), and Photoluminescence (PL), et al. The results indicate that the mixture of SnCl<sub>2</sub>·2H<sub>2</sub>O and H<sub>2</sub>O<sub>2</sub> reacted rapidly to form SnO<sub>2</sub> after simple stirring for more than ten times. XRD analysis revealed the formation of amorphous SnO<sub>2</sub>. SEM and TEM results demonstrated that the samples consisted of numerous nanocrystalline grains with an average size of 10 nm. FT-IR results indicated the presence of abundant hydroxyl groups in the samples. XPS characterization confirmed the presence of many hydroxyl groups, oxygen vacancies and small amounts of Cl ion doping in SnO<sub>2</sub>. DRS results showed that the synthesized SnO<sub>2</sub> samples exhibited good light absorption capabilities in the visible light region. Additionally, compared to the bandgap width of SnO<sub>2</sub> reagent, the bandgap width of the synthesized samples significantly decreased. The bandgap value of SnO<sub>2</sub> reagent was as high as 3.64 eV. That of the sample with the best performance obtained after optimizing the raw material ratio decreased to 2.52 eV. Its specific surface area reached 149.4 m<sup>2</sup>/g. The PL results indicate the presence of a great amount of oxygen vacancies in the synthesized SnO<sub>2</sub> sample. At the same time, it can suppress the recombination of photo generated electron hole pairs and improve the separation efficiency of photo generated charge carriers. The prepared SnO<sub>2</sub> photocatalyst demonstrated excellent photocatalytic degradation capabilities. Under simulated sunlight irradiation, the sample with the best performance can completely degrade methyl orange within 6 min. The superior degradation activity towards dyes can be attributed to the extremely fine grain size of the SnO<sub>2</sub> photocatalyst, as well as the synergistic effect of oxygen vacancies and Cl ion doping.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6491 - 6503"},"PeriodicalIF":4.9,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021629","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
Unlocking Stability and Efficiency in Double Inorganic Halide Perovskite Cs2KMoX6 (X = Cl, I) Materials Through First Principles Study 用第一性原理研究揭示双无机卤化物钙钛矿Cs2KMoX6 (X = Cl, I)材料的稳定性和效率
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-20 DOI: 10.1007/s10904-024-03529-y
Masoofa Akhtar, Mubashar Nazar, Muhammad Sajid,  Nasarullah, Gamil A. A. M. Al-Hazmi, Khamael M. Abualnaja, Muhammad Faizan, Basit Qayyum, Yazen M. Alawaideh
{"title":"Unlocking Stability and Efficiency in Double Inorganic Halide Perovskite Cs2KMoX6 (X = Cl, I) Materials Through First Principles Study","authors":"Masoofa Akhtar,&nbsp;Mubashar Nazar,&nbsp;Muhammad Sajid,&nbsp; Nasarullah,&nbsp;Gamil A. A. M. Al-Hazmi,&nbsp;Khamael M. Abualnaja,&nbsp;Muhammad Faizan,&nbsp;Basit Qayyum,&nbsp;Yazen M. Alawaideh","doi":"10.1007/s10904-024-03529-y","DOIUrl":"10.1007/s10904-024-03529-y","url":null,"abstract":"<div><p>The physical properties of halide double-perovskites (HDPs) Cs<sub>2</sub>KMoX<sub>6</sub> (X = Cl, I) were investigated based on density functional theory (DFT). The Perdew, Burke, and Ernzerhof generalized-gradient approximation (PBE-GGA) and modified Becke-Johnson (mBJ) potential were applied in the study. The enthalpy of formation (ΔH) was computed to be − 0.637 eV for Cs<sub>2</sub>KMoCl<sub>6</sub> and − 1.57 eV for Cs<sub>2</sub>KMoI<sub>6</sub>, confirming the stability of Cs<sub>2</sub>KMoX<sub>6</sub> (X = Cl, I) with negative values. The ferromagnetic (FM) properties were confirmed by observing whole number values of the total magnetic moment (µ<sub>B</sub>), measuring 2.99 µ<sub>B</sub> for Cs<sub>2</sub>KMoCl<sub>6</sub> and 3.00 µ<sub>B</sub> for Cs<sub>2</sub>KMoI<sub>6</sub>. Cs<sub>2</sub>KMoCl<sub>6</sub> exhibits a direct band gap of 4.85 eV (down spin) and 3.16 eV (up spin), while Cs<sub>2</sub>KMoI<sub>6</sub> shows 2.66 eV (down spin) and 2.19 eV (up spin), confirming their semiconductor characteristics. Optical features revealed the UV absorption in both perovskites, with energy values of 9.69 eV for Cs<sub>2</sub>KMoCl<sub>6</sub> and 10 eV for Cs<sub>2</sub>KMoI<sub>6</sub>. Both Cs<sub>2</sub>KMoCl<sub>6</sub> and Cs<sub>2</sub>KMoI<sub>6</sub> satisfy the Born stability criteria, indicating their mechanical stability and suitability for practical applications. Additionally, thermoelectric features were evaluated utilizing the BoltzTraP code. The largest Seebeck coefficient value is 1.81 × 10<sup>4</sup> µV/K at 300 K for Cs<sub>2</sub>KMoCl<sub>6</sub> and 1.84 × 10<sup>4</sup> µV/K at 300 K for Cs<sub>2</sub>KMoI<sub>6</sub>. Findings suggest that both Cs<sub>2</sub>KMoX<sub>6</sub> (X = Cl, I) exhibit promising potential for usages in thermoelectricity, optics, and data storage.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 6","pages":"4398 - 4416"},"PeriodicalIF":4.9,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145167086","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
Mechanochemical Synthesis of GCN/Nb2O5/Bi2O3Ternary Composite Photocatalyst for Enhanced Visible Light Driven Degradation of Organic Pollutants 机械化学合成GCN/Nb2O5/ bi2o3三元复合光催化剂增强可见光降解有机污染物
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-20 DOI: 10.1007/s10904-025-03662-2
K. Shanthini, V. Manivannan
{"title":"Mechanochemical Synthesis of GCN/Nb2O5/Bi2O3Ternary Composite Photocatalyst for Enhanced Visible Light Driven Degradation of Organic Pollutants","authors":"K. Shanthini,&nbsp;V. Manivannan","doi":"10.1007/s10904-025-03662-2","DOIUrl":"10.1007/s10904-025-03662-2","url":null,"abstract":"<div><p>This study investigates the development of a graphitic carbon nitride/niobium pentoxide/bismuth oxide (GCN/Nb<sub>2</sub>O<sub>5</sub>/Bi<sub>2</sub>O<sub>3</sub>) ternary composite photocatalyst for enhanced methylene blue (MB) degradation under visible light irradiation. The g-C₃N₄ (GCN) was synthesized using a simple thermal method, and the ternary nanocomposite was prepared via a mechanochemical route. The GCN/Nb<sub>2</sub>O<sub>5</sub>/Bi<sub>2</sub>O<sub>3</sub> ternary composite exhibited superior photocatalytic activity compared to pristine GCN and GCN-based binary composites, achieving 98% MB degradation within 105 min under visible light irradiation. The combined action of GCN, Nb₂O₅, and Bi₂O₃ synergistically enhances performance by effectively separating charges and minimizing the recombination of photogenerated electron-hole pairs. Scavenger experiments showed that holes (h⁺) and hydroxyl radicals (•OH) play the primary roles in MB degradation. The GCN/Nb<sub>2</sub>O<sub>5</sub>/Bi<sub>2</sub>O<sub>3</sub> ternary composite demonstrated good stability, maintaining its photocatalytic activity over five consecutive reaction cycles. This work highlights the potential of GCN/Nb<sub>2</sub>O<sub>5</sub>/Bi<sub>2</sub>O<sub>3</sub> ternary composite for efficient wastewater treatment applications.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6366 - 6376"},"PeriodicalIF":4.9,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021693","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
Designed Syntheses of Chiral Iodo/Thiocyano Cuprous 3D Supramolecular Frameworks with Ferroelectricity and Circular Polarization Luminescence 具有铁电性和圆偏振发光的手性碘/硫代铜三维超分子框架的设计合成
IF 4.9 3区 化学
Journal of Inorganic and Organometallic Polymers and Materials Pub Date : 2025-02-19 DOI: 10.1007/s10904-025-03663-1
Zhong-Xu Wang, Wen-Xiang Chai, Li Song
{"title":"Designed Syntheses of Chiral Iodo/Thiocyano Cuprous 3D Supramolecular Frameworks with Ferroelectricity and Circular Polarization Luminescence","authors":"Zhong-Xu Wang,&nbsp;Wen-Xiang Chai,&nbsp;Li Song","doi":"10.1007/s10904-025-03663-1","DOIUrl":"10.1007/s10904-025-03663-1","url":null,"abstract":"<div><p>A pair of chiral organophosphorus iodide ligands, R/S-2’-(diphenylphosphaneyl)-[1,1’-binaphthalen]-2-yl)(methyl)diphenylphosphonium iodide (abbreviated as R/S-MBINAP<sup>+</sup>I<sup>−</sup>), was designedly synthesized to react with CuSCN, forming a pair of chiral iodo/thiocyano cuprous three-dimensional (3D) supramolecular frameworks, R/S-[Cu<sub>2</sub>(SCN)<sub>2</sub>I(MBINAP)]<sub>n</sub> (abbreviated as R/S-<b>1</b>). The 3D architectures were constructed by the connection of [Cu<sub>2</sub>(SCN)<sub>2</sub>]<sub>n</sub> chains with I<sup>−</sup> and R/S-MBINAP<sup>+</sup> ligands hanging on each side by coordination, through strong C–H···π interactions among the neighbouring chains, showing excellent thermal stability. R/S-<b>1</b> displayed characteristic chiral property of circular dichroism with mirror-symmetric cotton effect. Moreover, R-<b>1</b> exhibited fasinating ferroelectricity with <i>P</i><sub>r</sub> of 0.036 µC·cm<sup>− 2</sup>, <i>E</i><sub>c</sub> of 8.2 kV·cm<sup>− 1</sup> and <i>P</i><sub>s</sub> of 0.13 µC·cm<sup>− 2</sup>. As expected, R/S-<b>1</b> showed luminescence with relatively long lifetime of 569 us (R-<b>1</b>) and 568 us (S-<b>1</b>). Furthermore, R/S-<b>1</b> exhibited good circular polarization luminescence (CPL) with <i>g</i><sub>lum</sub> being ± 3.0 × 10<sup>− 3</sup>. Theoretical calculations have been carried out to clarify the band structure of R-<b>1</b>. This work provides a new research strategy for the design and syntheses of chiral halogeno/pseudohalogeno cuprous polymers, and opens up a prospect for the multiple applications of chiral iodo/thiocyano cuprous materials.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6377 - 6385"},"PeriodicalIF":4.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021496","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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