Bin Huang, Liukun Li, Yanqiu Ma, Wenli Xie, Kangning Li
{"title":"Research on Al12C12 as a gas sensor for detecting of CH4, CO, H2, NO and NH3 based on density functional theory","authors":"Bin Huang, Liukun Li, Yanqiu Ma, Wenli Xie, Kangning Li","doi":"10.1007/s11051-024-06204-y","DOIUrl":"10.1007/s11051-024-06204-y","url":null,"abstract":"<div><p>This study evaluated the CH<sub>4</sub>, CO, H<sub>2</sub>, NH<sub>3</sub>, and NO–sensing abilities of Al<sub>12</sub>C<sub>12</sub> nanocages by using density functional theory. The geometry optimisation, cohesive energy, adsorption energy, and other electronic properties of Al<sub>12</sub>C<sub>12</sub> nanocages and complexes after gas adsorption were calculated. The Al<sub>12</sub>C<sub>12</sub> nanocage is highly symmetric and consists of eight hexagonal and six tetragonal rings. The Al<sub>12</sub>C<sub>12</sub> nanocage had a cohesive energy of 4.6 eV and an energy gap of 1.593 eV, indicating that Al<sub>12</sub>C<sub>12</sub> nanocages are stable and have semiconductor-like properties. The gas that the Al<sub>12</sub>C<sub>12</sub> nanocage most effectively adsorbed was NH<sub>3</sub>. The NH<sub>3</sub> complex not only had largest adsorption energy and shortest adsorption distance but also transferred the most charges and had the largest dipole moment. Mulliken charge transfer theory and molecular electrostatic potential analyses were used to evaluate charge transfer and distribution. The charge distribution of the Al<sub>12</sub>C<sub>12</sub> nanocage differed depending on the type of gas, with NH<sub>3</sub> resulting in the greatest number of charges being transferred. Density of states analysis was performed, and the results indicate that the complex was primarily composed of 3p orbitals of C and Al. The highest occupied molecular orbital and lowest unoccupied molecular orbital were analysed. Interactions with various gases significantly reduced the energy gap values of pure nanocages, and those of the NH<sub>3</sub> and NO complexes were significantly reduced because of changes in the 3p orbitals of the C and Al atoms. This study demonstrates that pure Al<sub>12</sub>C<sub>12</sub> nanocages have potential as materials for the detection of NH<sub>3</sub> and NO gas.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Anbuvannan, V. Maria Vinosel, P. Dhatshanamurthi, S. Rajesh, M. Ramesh, N. Kannadasan
{"title":"Investigation of pure TiO2 and BaO-loaded TiO2 nanocomposites with enhanced photocatalytic activities","authors":"M. Anbuvannan, V. Maria Vinosel, P. Dhatshanamurthi, S. Rajesh, M. Ramesh, N. Kannadasan","doi":"10.1007/s11051-025-06242-0","DOIUrl":"10.1007/s11051-025-06242-0","url":null,"abstract":"<div><p>In this study, pure TiO<sub>2</sub> and 5 wt% BaTiO<sub>3</sub> nanocomposites were synthesized using the sol–gel method. The crystal structure, morphology, optical properties, and chemical composition of the synthesized nanoparticles were characterized by using XRD, SEM, HR-TEM, UV–vis spectroscopy, and XPS. The average crystallite sizes of the pure TiO<sub>2</sub> and 5 wt% BaTiO<sub>3</sub> were approximately 15.2 nm and 8 nm, respectively. Particle size is affected by the nature of the surfactant. Spherically shaped nanoparticles with aggregation and a homogeneous size distribution were observed using SEM and HR-TEM. The bandgap was determined to be 3.24 eV and was found to have excellent optical behavior. The chemical and electronic states of the BaTiO<sub>3</sub> nanoparticles were determined by XPS. The nanoparticles photocatalytically degraded the Congo red dye in an aqueous solution. Compared to pure TiO<sub>2</sub> nanoparticles, 5 wt% BaTiO<sub>3</sub> nanoparticles with surfactant assistance demonstrated better photocatalytic activity.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143379857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Thermodynamic modelling of Ga-Si nano phase diagram including shape effect","authors":"Seema, Chander Shekhar","doi":"10.1007/s11051-025-06241-1","DOIUrl":"10.1007/s11051-025-06241-1","url":null,"abstract":"<div><p>The silicon-gallium system’s nano-phase diagram, which takes into account the shape influence of the nanoparticles, has been evaluated for the first time using phase equilibrium and thermodynamic data. By using suitable thermodynamic models for the computation of the thermodynamic parameters, the impact of grain size has been taken into account. Ga nanoalloy has been studied in a variety of shapes, including icosahedral, spherical, hexahedral, octahedral, tetrahedral, film, and wire. The findings have been contrasted with data and empirical values from earlier research. It has been noted that thermodynamic characteristics such as the eutectic temperature, eutectic composition, and melting temperature of Si and Ga drop as particle size in the Ga–Si system decreases. The melting temperature of the nanoparticles is significantly influenced by the dimensions of the nanomaterials. The current work has made use of the dimension-based surface particle concentration, the total number of particles, and their relationship. Dimension of nanoparticles is important for analyzing their thermodynamic properties and phase diagram, in addition to their size.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143370001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Sulfur-doped zinc oxide nanoparticles for enhanced degradation of 2,4-DCP under natural sunlight","authors":"Priyanka Madhu, Khushboo Dasauni, Preeti Joshi, Tapan Kumar Nailwal, Bhavani Prasad Naik Nenavathu, Ambika Kumar","doi":"10.1007/s11051-025-06247-9","DOIUrl":"10.1007/s11051-025-06247-9","url":null,"abstract":"<div><p>The present research focuses on synthesizing and characterizing sulfur-doped Zinc oxide (S-ZnO) nanoparticles (NPs) utilizing an economical, simple, cost-effective, and solution-free thermo-mechanical technique. The antibacterial activity of these nanoparticles against <i>Klebsiella pneumoniae</i> and their efficiency in the photocatalytic degradation of the pollutant 2,4-dichlorophenol are assessed. Powder X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to investigate the crystallite size and morphological features, respectively. XRD results for S-ZnO NPs with concentrations of 3 wt%, 5 wt%, and 7 wt% showed crystallite sizes of 14.51 nm, 11.33 nm, and 10.14 nm, respectively. FE-SEM shows the morphology of pristine ZnO as rod-shaped and when sulfur is doped in ZnO, it shows tube-shaped morphology. The band gap values for pristine ZnO and 5 wt% S-ZnO NPs were 3.02 eV and 2.82 eV, respectively, highlighting the enhanced photocatalytic potential of the doped nanoparticles. Pristine ZnO and 5 wt% S-ZnO NPs have surface areas of 30.86 m<sup>2</sup>/g and 39.77 m<sup>2</sup>/g, respectively. Photocatalytic studies demonstrated that 5 wt% S-ZnO NPs exhibit superior photocatalytic activity, achieving 92% degradation of 2,4-dichlorophenol in an aqueous medium within 60 min at a concentration of 0.8 mg/mL under natural sunlight. Scavenger tests using histidine and ascorbic acid confirmed that hydroxyl radicals (⋅OH) played a key role in pollutant breakdown. The reusability of S-ZnO NPs revealed stability over three cycles. Antibacterial tests using the disc diffusion method against <i>Klebsiella pneumoniae</i> indicated that 5 wt% S-ZnO had stronger antibacterial effects than pristine ZnO, making it promising for environmental remediation and biomedical applications.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Metal nanoparticles and sensitivity/resistance to therapy in cancer: two sides of the coin?","authors":"Atena Abed, Seyed Abbas Mirzaei, Sayedeh Azimeh Hosseini, Elaheh Ghelich, Neda Rahimian, Hamed Mirzaei","doi":"10.1007/s11051-025-06228-y","DOIUrl":"10.1007/s11051-025-06228-y","url":null,"abstract":"<div><p>Cancer is known to be among the biggest health issues of nowadays, as its therapy has become increasingly more complicated due to drug-resistant tumors. This means that medicine may potentially become ineffective in specific cases, which can result in dire circumstances for the patient. Therefore, research for alternative ways of combating drug resistance has taken the front seat recently. Metal nanoparticles (NPs) have shown promise in addressing issues commonly observed in traditional chemotherapy, such as drug resistance. These tiny metal particles are known to greatly contribute to cancer treatment by enhancing targeting capabilities, silencing genes, and delivering medication more effectively. Additionally, metal NPs that have been modified with targeting molecules allow for greater precision in delivering energy to tumors. Specifically, the nanomedicine usage to fight against cancer has grown in popularity. The various factors that contribute to the inability of cancer drugs to effectively kill cancer cells include increased levels of drug transporters that remove the drugs, faulty pathways for cellular death, and low oxygen levels. The use of nanoparticles designed to specifically target and overcome these mechanisms has the potential to significantly improve the ability to reverse multidrug resistance in cancer treatment. Through the development of tailor-made nanoparticles having ligands which binds to drug-resistant cancer cells, the unwanted uptake of drugs in other parts of the body is minimized and improved targeting is facilitated. Studies have found that metallic nanostructures can be employed to examine sensitivity to therapy and cancer resistance. The use of metal NP therapeutic systems not only offers the ability to diagnose and treat simultaneously, but also enables precise and directed drug release. This has the potential to greatly transform the way cancer is treated and managed. Therefore, various metal nanoparticles can be considered possible chemotherapeutic options. Moreover, with the growing understanding of various drug resistance mechanisms in tumors, there is a rising focus on creating NPs specifically designed to combat these mechanisms.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Min Yao, Delong Chen, Ming Gui, Chengfei Zhu, Wenjuan Liu
{"title":"Enhanced dispersibility and improved paper deacidification in fluorocarbon solvent by immobilization of nano-MgO with polyvinylpyrrolidone","authors":"Min Yao, Delong Chen, Ming Gui, Chengfei Zhu, Wenjuan Liu","doi":"10.1007/s11051-024-06205-x","DOIUrl":"10.1007/s11051-024-06205-x","url":null,"abstract":"<div><p>Paper deacidification is one of the most important tasks in the conservation of cultural relics. Recently, fluorocarbon solvents which are safe, environment-friendly, and do not react with paper have attracted extensive attention and have been used as the deacidification solvent. However, as one of the most commonly used deacidification agents, the poor dispersibility of nano-MgO in organic solvent has greatly restricted the paper deacidification effect. Herein, by introducing polyvinylpyrrolidone (PVP, K30) as a guiding agent during the process of nano-MgO electrolysis synthesis, we enhanced the dispersibility of nano-MgO in fluorocarbon solvent (C<sub>5</sub>H<sub>3</sub>F<sub>9</sub>O) with stable suspension time extended to 1.5 h, then optimized deacidification performance of paper in Qing Dynasty. The nano-MgO immobilized with PVP (MgO/PVP) is flaky. Compared with MgO synthesized directly without surfactant, its suspension stability increased from 30 min to 1.5 h. Moreover, nano-MgO immobilized with PVP exhibited the best paper deacidification effect. Other than pH 7.8 and 7.9 in groups of MgO and MgO-PVP (PVP addition after MgO synthesis), the pH of the paper after deacidification reached 8.85 for MgO/PVP. In addition, tensile strength of the treated paper is increased 16.3% and the color of the paper is slightly influenced. Overall, We have improved the electrolysis method, and realized the uniform dispersion of nano-MgO in fluorocarbon solvent, which brought the good deacidification effect to the paper and had certain significance in the protection of cultural relics.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Morphology-controlled synthesis of CoSn(OH)6 nanocrystallines for enhanced photocatalytic reduction of 4-nitrophenol","authors":"Enlei Zhang, Jiaojiao Chen, Rui Xu, Xiaowen Song, Bengui Zhang, Guosheng Wang","doi":"10.1007/s11051-025-06245-x","DOIUrl":"10.1007/s11051-025-06245-x","url":null,"abstract":"<div><p>In this work, the different shaped CoSn(OH)<sub>6</sub> nanocrystallines were prepared by hydrothermal method. The morphology, microstructure, and composition of the prepared nanocrystallines were characterized with X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and other methods. The optical properties of CoSn(OH)<sub>6</sub> nanocrystallines with different morphologies were analyzed using UV–vis DRS. With the reduction of 4-nitrophenol as a model reaction, the photocatalytic performance of CoSn(OH)<sub>6</sub> nanocrystallines with the different morphologies was investigated. The results show that the CoSn(OH)<sub>6</sub> nanorings significantly improved the photocatalytic reduction 4-nitrophenol performance. The conversion rate of 4-nitrophenol reached 94% within 6 min. Finally, a potential mechanism for the photocatalytic process of CoSn(OH)<sub>6</sub> nanorings is discussed.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361766","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Analysis of the electromagnetic interference shielding effectiveness of polystyrene-SWCNT nanocomposite in X-band frequencies","authors":"Shahryar Malekie, Shima Sadat Madani, Hossein Molhem, Farhood Ziaie, Suffian Mohamad Tajudin","doi":"10.1007/s11051-025-06248-8","DOIUrl":"10.1007/s11051-025-06248-8","url":null,"abstract":"<div><p>In this work, polystyrene/single-walled carbon nanotube nanocomposites (PS-SWCNT) at three different concentrations of carbon nanotubes namely 0.1, 2, and 5 wt% with thickness of 2 mm were fabricated using a solution method to serve as an electromagnetic wave shield at X-band frequencies ranging from 8.2 to 12.4 GHz. FESEM analysis exhibited a uniform dispersion state of the reinforcement phase into the polymer matrix. XRD test showed the presence of the CNTs in PS matrix via exhibiting the characteristic peaks at specific angles. Also, mechanical test was carried out on the samples. Following this, the samples were subjected to measurement of electromagnetic interference shielding effectiveness (EMI SE) using a two-port vector network analyzer. This involved analyzing the absorption, reflection, and transmission of electromagnetic waves for each sample. The findings revealed a significant increase in EMI SE with the higher concentration of the CNTs in the polymer matrix, in such a way that the total shielding effectiveness of the samples in 5 wt%, and 0.1 wt% was recorded at 16 dB and 3 dB, respectively. The remarkable EMI shielding properties of PS-SWCNT nanocomposite can be mainly attributed to high electrical conductivity, high dielectric loss, and more importantly the multiple reflections due to presence of the nanofillers. Consequently, this material holds promise for attenuating electromagnetic wave interference at X-band frequency range.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143184840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A review of biomedical applications of low-frequency magnetic fields and nanoparticles (LFMFs/NPs)","authors":"Akram Mahna","doi":"10.1007/s11051-025-06238-w","DOIUrl":"10.1007/s11051-025-06238-w","url":null,"abstract":"<div><p>This review explores the emerging applications of low-frequency magnetic fields (LFMFs) and magnetic nanoparticles (MNPs) in the field of biomedicine, including in cancer treatment, controlled drug delivery, proliferation of cells, and wound healing. LFMFs, which may be found in both natural and manmade sources, have the ability to penetrate objects and may have physiological consequences. In addition, magnetic nanoparticles with low frequencies display a sensitive reaction to magnetic fields from outside sources. This presents opportunities for precise drug administration, imaging, and hyperthermia treatment in a range of biological applications. The use of precise drug delivery and controlled release mechanisms in cancer therapy, as well as the application of magnetic fields to accelerate tissue regeneration in wound healing, are advantageous for these medical treatments. In addition, this study examines the importance of liposome release and permeability in improving the availability and specificity of drugs. The authors expect that this study will provide valuable guidance to scholars in strategizing their next investigations in the same realm.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143108035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Layered double hydroxide nanocomposites: a promising platform for sustainable photocatalytic solutions—a short review","authors":"Vennila Selvaraj, Suresh S, Gurunathan Karuppasamy","doi":"10.1007/s11051-024-06167-0","DOIUrl":"10.1007/s11051-024-06167-0","url":null,"abstract":"<div><p>Layered double hydroxides (LDHs) have emerged as potential catalysts for sustainable applications due to their structural adaptability and compositional flexibility. This review explores the intrinsic properties of LDHs and their role in enhancing photocatalytic efficiency. This review also emphasizes recent advancements in LDH-based nanocomposites to address critical environmental challenges, including pollution mitigation, hydrogen generation, and CO<sub>2</sub> conversion. Although significant progress has been made, addressing key challenges is essential to enhance LDH performance for sustainable technologies. This review highlights the emerging trends which has been observed for the past five years and outline the key points for the future research.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 2","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}