Journal of Nanoparticle Research最新文献

{"title":"Comparative study of in situ and ex situ incorporation of carbon quantum dots into cellulose acetate nanofibers: effects on pollutant dye removal","authors":"Marcos Alan Cota Leal,&nbsp;Andrés Gabriel Hernández-Vázquez,&nbsp;Ricardo Valdez Castro,&nbsp;Amelia Olivas Sarabia","doi":"10.1007/s11051-025-06447-3","DOIUrl":"10.1007/s11051-025-06447-3","url":null,"abstract":"<div><p>This study investigates the synthesis and characterization of cellulose acetate (CA) nanofiber composites incorporating carbon quantum dots (CQDs) for photocatalytic applications. The CQDs were synthesized via an electrochemical carbonization process using a two-electrode system and were integrated into CA nanofibers using both in situ and ex situ methods. The chemical composition was analyzed by Fourier-transform infrared spectroscopy (FTIR), confirming the successful incorporation of CQDs into the nanofibers. The optical properties of the CQDs embedded in the nanofibers were assessed via UV–Vis spectroscopy, and the morphology was characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). SEM images revealed uniform, smooth nanofibers, and TEM analysis showed a better dispersion of CQDs in the in situ nanofibers compared to ex situ samples. The photocatalytic degradation of methylene blue dye under UV light was used to evaluate the photocatalytic efficiency of the materials. The results indicated that the in situ CQDs/CA nanofibers exhibited superior photocatalytic activity, with a significant increase in the degradation rate compared to the nanofibers by the ex situ process. These findings suggest that the incorporation method of CQDs plays a crucial role in enhancing the photocatalytic performance of the nanofibers.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 10","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11051-025-06447-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamic and spectroscopic characterization of CH4, CO2 and NH3 adsorption on silver nanoclusters via DFT methods","authors":"Anu A,&nbsp;Baiju V,&nbsp;Jamelah S. Al-Otaibi,&nbsp;Dedhila Devadathan,&nbsp;Asitha L. R,&nbsp;Sheena Mary Y","doi":"10.1007/s11051-025-06448-2","DOIUrl":"10.1007/s11051-025-06448-2","url":null,"abstract":"<div><p>In this study, density functional theory (DFT) calculations are carried out using Gaussian 16, which are employed to explore the interactions between environmentally significant toxic gas molecules methane (CH₄), carbon dioxide (CO₂) and ammonia (NH₃) and its adsorption on silver nanoclusters (Ag₃). These interactions are investigated to understand their potential applications in pollutant detection and environmental monitoring. The structural and electronic properties Ag₃-X (X = CH₄, CO₂, NH₃) complexes are optimized and analysed through molecular orbital calculations, including HOMO–LUMO gaps, band gaps, and molecular electrostatic potential (MEP) maps. Key thermodynamic parameters such as binding energy, free energy, and adsorption energies are calculated to evaluate adsorption efficiency. The study also examines vibrational properties via surface-enhanced Raman scattering (SERS), providing detailed Raman spectra that highlight shifts in frequency and intensity upon gas adsorption, which helps in predicting the stability of the analyte-Ag cluster composite. The results demonstrate the utility of silver nanoclusters as sensitive, selective platforms for detecting trace levels of atmospheric pollutants. This computational approach underscores the value of hybrid DFT methods in designing sustainable nanomaterials for real-time environmental sensing applications.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 10","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145110620","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":"Zinc ion-coordinated high-drug-loading nanoparticles for enhanced anti-tumor therapy","authors":"Min Cen,&nbsp;Yi-Fan Zhang,&nbsp;Yan-Zheng Pan,&nbsp;Zhi-Juan Zhang,&nbsp;Han-Xiao Tang","doi":"10.1007/s11051-025-06444-6","DOIUrl":"10.1007/s11051-025-06444-6","url":null,"abstract":"<div><p>Disulfiram (DSF), a clinically approved anti-alcoholism drug, has recently gained prominence as a repurposed antitumor candidate owing to its metal-chelating capability for potentiated therapeutic outcomes. The complex formed by the coordination between DSF and zinc ions (Zn²⁺) is a key active ingredient that exerts anticancer effects. Directly delivering the complex is an effective strategy for improving the therapeutic effect of DSF. However, its application is hindered due to the poor aqueous solubility and limited delivery efficiency. To overcome these critical barriers, we engineered a metal-coordination-driven self-assembled nanoplatform through Zn²⁺-mediated complexation with diethyldithiocarbamate (DDTC, the bioactive metabolite of DSF), subsequently functionalized with polyvinylpyrrolidone (PVP) and hyaluronic acid (HA) to construct Zn(DDTC)₂ nanoparticles (NPs) for high-efficacy cancer therapy. This approach enabled efficient production of Zn(DDTC)₂ NPs with high reproducibility and scalability. The optimized Zn(DDTC)₂ NPs exhibited high drug encapsulation efficiency (close 100%), remarkable drug-loading capacity (96.05%), excellent colloidal stability, and uniform dispersibility in physiological media. In vitro studies have shown that nanoparticles effectively internalized into tumor cells via endocytosis or HA-CD44-mediated endocytosis. Subsequently, zinc ions and DDTC exert a synergistic therapeutic effect by disrupting mitochondrial function, promoting reactive oxygen species production, inducing cell apoptosis, and inhibiting cell migration. This metal ion–coordinated nanoplatform not only enhances the therapeutic potential of DSF but also provides a promising strategy for low-toxicity, high-efficacy cancer therapy by leveraging metal-drug synergism.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 10","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145073596","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":"Facile synthesis of copper nanoparticles for selective colorimetric and spectrophotometric detection of mercury (II) ions in aqueous media","authors":"Zain Ali,&nbsp;Anshul Tiwari,&nbsp;Pranjal Yadav,&nbsp;Sandeep Kumar,&nbsp;Devendra Kumar Patel","doi":"10.1007/s11051-025-06441-9","DOIUrl":"10.1007/s11051-025-06441-9","url":null,"abstract":"<div><p>This research provides insights about the synthesis and characterization of copper nanoparticles (CuNPs) using a simple, environmentally conscious approach, employing sodium dodecyl sulphate (SDS), starch, and polyethyleneimine (PEI). The synthesis aimed to produce stable CuNPs with controlled properties (particle size, shape, size distribution, crystal structure, surface chemistry, etc.) for heavy metal detection applications. Comprehensive characterization was performed utilizing a suite of analytical techniques, including UV–Vis, FTIR, XRD, DLS, and TEM. Atomic absorption spectroscopy (AAS) was used to quantify the copper content. Subsequently, the synthesized CuNPs were applied for the rapid screening of heavy metal ions in aqueous solutions, with a focus on mercury (Hg²⁺) detection. A colorimetric and spectrophotometric method was developed, utilizing the interaction between Hg²⁺ ions and the CuNPs, which resulted in a visually evident colour change and a corresponding shift in the UV–Visible absorption spectrum. Metal ions tested for detection were Fe³⁺, Pb²⁺, Zn²⁺, Cd²⁺, Ni²⁺, As³⁺, Al³⁺, Mn²⁺, Cr³⁺, Cu²⁺, Hg²⁺, Co²⁺, Sn⁴⁺, and Mn²⁺. This method enabled rapid detection of Hg²⁺ ions within a mere 5 min. The limit of detection (LOD) for Hg²⁺ ions by the visual colorimetric method was determined to be around 0.277 ppm, demonstrating the high sensitivity of the synthesized CuNPs for heavy metal detection. This study underscores the potential of SDS, starch, and PEI-stabilized CuNPs as a promising material for rapid, sensitive, cost-effective, and extremely selective heavy metal detection in environmental monitoring and remediation applications, offering a viable alternative to traditional analytical methods. </p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 10","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145073932","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":"Size-dependence of melting thermodynamics of nano-Bi","authors":"Ping Li,&nbsp;Aijie Yan,&nbsp;Yongqiang Xue","doi":"10.1007/s11051-025-06446-4","DOIUrl":"10.1007/s11051-025-06446-4","url":null,"abstract":"<div><p>Bismuth nanoparticles serve as core functional units in various electronic devices. Due to the size effect, the particle size of nano-Bi significantly influences its melting thermodynamic properties, thereby influencing the development and application of corresponding functional materials. In this paper, firstly, the theoretical relationships between the melting temperature, integral melting thermodynamic properties of nano-bismuth and particle size were derived, respectively. Experimentally, spherical nano-Bi with different particle sizes (average radius ranging from 39.94 nm to 85.85 nm) were prepared by a solvothermal method. The melting temperature, melting enthalpy and melting entropy were measured using a differential scanning calorimeter. The experimental results were compared with the theoretical predictions, revealing that the melting temperature, melting enthalpy and melting entropy of nano-bismuth decrease with a reduction in particle size. Furthermore, within the investigated particle size range, these melting thermodynamic properties exhibit a linear correlation with the reciprocal of the particle size. This study elucidates the regulatory mechanism of particle size on the melting thermodynamics of nano-Bi. It not only deepens the theoretical understanding of nanothermodynamics but also provides crucial design principles for the performance optimization of nano-Bi-based devices.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 10","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145073666","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":"Strontium-doped hydroxyapatite nanocomposites for breast cancer bone metastasis therapy by modulating bone formation and suppressing cancer cell stemness","authors":"Yanlian Lu,&nbsp;Zhengjie Liu,&nbsp;Mengmeng Ji,&nbsp;Lili Ren,&nbsp;Yanru Song,&nbsp;Guoqiang Zhou,&nbsp;Hua Yang,&nbsp;Kun Ge","doi":"10.1007/s11051-025-06407-x","DOIUrl":"10.1007/s11051-025-06407-x","url":null,"abstract":"<div><p>Bone metastases is the most common incidence in the advanced stage of breast cancer patients. In clinic, chemotherapeutic drugs and anti-resorptive drugs are used to suppress cancer cell and osteoclast activity for the decreased incidence of bone-related events. However, the progression-free and 5-year survival rate is still very low in patients with breast cancer bone metastasis. Once bone metastasis occurs, tumor cells disrupt the bone microenvironment’s balance, causing osteolytic lesions and strengthening tumor cell stemness to accelerate metastasis. Therefore, addressing the complexity of bone microenvironment, this work developed new targeted therapeutic nanocomposites 20%Sr/HAP@CS@miR34a for breast cancer bone metastasis. The twenty-percentage strontium-doped hydroxyapatite nanoparticles (20%Sr/HAP) were prepared by hydrothermal method and had the ability to promote osteogenic differentiation and inhibit osteoclast differentiation. The nanocomposites 20%Sr/HAP@CS@miR34a was constructed by modifying chitosan and loading miR34a. 20%Sr/HAP@CS showed safe and bone-targeting capacity in mice after intravenous injection. 20%Sr/HAP@CS@miR34a weakened the stemness of breast cancer cells and decreased invasion and metastasis. 20%Sr/HAP@CS@miR34a also suppressed the formation of osteoclast-like cells in vitro and alleviated osteolysis in the 3D co-culture model of breast cancer bone metastasis. Therefore, 20%Sr/HAP@CS@miR34a nanocomposites provide a bone-targeting therapeutic strategy in the bone microenvironment for breast cancer bone metastasis.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 10","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145062303","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":"Ligand density vs mechanistic insight: a ligand conjugated formulation for the treatment of triple-negative breast cancer","authors":"Avijit Kumar Bakshi,&nbsp;Tanweer Haider,&nbsp;Dilip Panwar,&nbsp;Madhu Sharma,&nbsp;Pratiksha Tiwari,&nbsp;Nikhil Rai,&nbsp;Vandana Soni","doi":"10.1007/s11051-025-06443-7","DOIUrl":"10.1007/s11051-025-06443-7","url":null,"abstract":"<div><p>This study explores the targeted delivery of 5-fluorouracil (5-FU) using folic acid-functionalized chitosan nanoparticles (FA-CS NPs), optimizing folate receptor-mediated uptake in cancer cells. A key focus is the systematic modulation of folic acid (FA) Ligand density to enhance nanoparticle interaction with folate receptors, thereby improving therapeutic efficacy. FA was conjugated to chitosan via carbodiimide chemistry, confirmed by 1H NMR, and FA-CS NPs were formulated using ionic gelation. Characterization via SEM and DLS confirmed nanoparticles with controlled ligand density, influencing zeta potential and stability. In vitro studies assessed drug entrapment efficiency, release kinetics, and cytotoxic effects on MDA-MB-231 cells. Higher FA ligand densities correlated with increased cellular uptake and cytotoxicity due to enhanced receptor-mediated endocytosis. Cell cycle arrest and apoptosis assays further supported improved therapeutic performance. However, a threshold was identified beyond which increasing FA density did not significantly enhance cytotoxicity, indicating an optimal ligand concentration for maximum efficacy. These findings highlight the crucial role of ligand density in nanoparticle-based drug delivery, demonstrating that precise surface modifications can significantly impact therapeutic outcomes. FA-CS NPs offer a promising platform for targeted cancer treatment, potentially extending to other receptor-overexpressing malignancies. This study lays the groundwork for further research into ligand-engineered nanocarriers, aiming to refine targeted therapies for enhanced efficacy and reduced systemic toxicity.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 10","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145062304","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":"Hydrogen storage performance of MXene Zr2CO2 material decorated with Li atoms: a DFT study","authors":"Radouane Asri,&nbsp;Isam Allaoui,&nbsp;Mohamed Khuili,&nbsp;Kenza Maher,&nbsp;El Houssine Atmani,&nbsp;Nejma Fazouan","doi":"10.1007/s11051-025-06438-4","DOIUrl":"10.1007/s11051-025-06438-4","url":null,"abstract":"<div><p>In this work, we explore the potential of the MXene material Zr₂CO₂ for hydrogen storage using density functional theory (DFT) with DFT-D2 dispersion corrections. The adsorption energy of hydrogen molecules was calculated to identify the most stable adsorption sites. Two orientations, namely vertical and horizontal, were considered. The results show that the adsorption energy does not fall within the required range (-0.17 to -0.6 eV) for effective storage. To enhance storage efficiency, lithium atom decoration was employed as a modification strategy. The most stable sites for Li atoms' attachment to the surface were identified. The results indicate that the hydrogen storage performance is Significantly enhanced. The 8Li@Zr₂CO₂ structure can hold onto 16 <i>H</i>_<i>2</i> molecules, with the adsorption energy falling within the optimal range, i.e., -0.162 to -0.233 eV. The adsorption of 16 H₂ molecules on the 8Li@Zr₂CO₂ system has a gravimetric hydrogen storage capacity (C_wt %) of 1.52% and a desorption temperature (T_D) of 234.148 K. Additionally, the material demonstrates stability and potential for reversible hydrogen storage at room temperature. However, further improvements can be achieved through structural modification or alternative surface functionalization.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 9","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145037349","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":"Solar light-activated ZnO/g-C3N4 nanocomposites with improved water pollutant treatment and antibacterial efficiency","authors":"Kanagaraj Narayanan,&nbsp;Krishnan Senthil Murugan,&nbsp;Murugan Sutharsan,&nbsp;Molly Thomas,&nbsp;Thillai Sivakumar Natarajan","doi":"10.1007/s11051-025-06419-7","DOIUrl":"10.1007/s11051-025-06419-7","url":null,"abstract":"<div><p>Synthetic organic dyes released from industries pose significant environmental and health hazards due to their toxicity, persistence, and resistance to conventional degradation processes. Traditional water treatment methods often suffer from limited efficiency, high energy requirements, and an inability to simultaneously remove both chemical and microbial contaminants. So, in this study, a solar light active ZnO/g-C₃N₄ nanocomposite was developed using a combination of sol–gel-combustion-impregnation methods, which showed an excellent water pollutant treatment and antibacterial efficiency. The catalytic activity of ZnO, g-C₃N₄, and ZnO/g-C₃N₄ nanocomposite was investigated by the degradation of aqueous solution of methylene blue (MB), rhodamine B (RhB), and malachite green (MG) dyes under direct sunlight irradiation. Further, the effect of operational parameters such as catalyst dosage, pH of dye solution, and initial dye concentration on the photocatalytic degradation efficiency were studied. The result revealed that ZnO/g-C₃N₄ (1:1.0) nanocomposite exhibited higher degradation efficiency towards dyes and the order of catalytic activity is ZnO/g-C₃N₄ (1:1.0) &gt; ZnO/g-C₃N₄ (1:1.5) &gt; ZnO/g-C₃N₄ (1:0.5) &gt; g-C₃N₄ &gt; ZnO, respectively. The 10 mg/L initial dye concentration, 50 mg catalyst dosage, and pH 9 are the optimized reaction parameters for highest photocatalytic activity with excellent reproducibility. The degradation was confirmed by kinetic analysis and proposed a possible mechanism for degradation. In addition, the catalytic active ZnO/g-C₃N₄ (1:1.0) nanocomposite displayed excellent antibacterial activity against gram-positive (<i>Staphylococcus aureus</i> and <i>Bacillus cereus</i>) and gram-negative (<i>Vibrio alginolyticus</i> and <i>Klebsiella pneumonia</i>) bacteria. The result concludes that ZnO/g-C₃N₄ nanocomposites are an efficient solar light-activated photocatalyst and excellent anti-bacterial agents under present experimental conditions.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 9","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145028246","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":"Computational investigation of platinum-encapsulated, copper-decorated fullerene (Cu-Pt@C60) for the detection and adsorption of SF6 decomposition gases","authors":"Ismail O. Amodu,&nbsp;Miracle N. Ogbogu,&nbsp;Hewa Y. Abdullah,&nbsp;Ifunanya Sylvia Ezenwobi,&nbsp;Emmanuel Emmanuel,&nbsp;Runde Musa","doi":"10.1007/s11051-025-06431-x","DOIUrl":"10.1007/s11051-025-06431-x","url":null,"abstract":"<div><p>Based on their toxic nature, and their contribution to the depletion of the ozone layer, detection of the decomposition products of sulfur hexafluoride, SF₆ (H₂S, HF, SiF₄, SO₂, and SOF₂) becomes paramount to researchers and environmentalists, as these gases have proven to be life-threatening to humans. Herein, the potential of platinum-encapsulated, copper-decorated fullerene (Cu-Pt@C₆₀) surface has been examined for the detection of gas pollutants within the framework of density functional theory (DFT) using the PBE0/GenECP/LanL2DZ/Def2-SVP level of theory. Both chemisorption and physisorption phenomena of adsorption were encountered, showing that the Cu-Pt@C₆₀ surface strongly adsorbed HF and SiF₄ gas pollutants. While comparing the weak adsorption group, H₂S, SO₂, and SOF₂ gas molecules will be best detected by Cu-Pt@C₆₀ surface. Also, HF-Cu-Pt@C₆₀ and SiF₄-Cu-Pt@C₆₀ showcased higher FET values, indicating strong adsorption and stability. In all, greater conductivity is attributed to the labeled systems. Hence, the potential of Cu-Pt@C₆₀ surface as a stable and promising adsorbent material for HF and SiF₄ gas pollutants, and detector for H₂S, SO₂, and SOF₂ gas molecules was confirmed in this study.\u0000</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 9","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145028244","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}