Chemical Physics Impact最新文献

{"title":"Ultra-fast real time ethanol sensing behavior and reduction in optical bandgap of the hydrothermally synthesized V2O5/ZnO nanocomposites","authors":"Abdul Hakim Shah ,&nbsp;Muhammad Anas ,&nbsp;Muneerah Alomar ,&nbsp;Muhamad Hanif ,&nbsp;Muhammad Zubair ,&nbsp;Nazir ur Rehman","doi":"10.1016/j.chphi.2025.100879","DOIUrl":"10.1016/j.chphi.2025.100879","url":null,"abstract":"<div><div>Owing to the significance of metal oxides based nanostructures for the gas sensing applications, this work reports the hybrid V₂O₅/ZnO nano-particles/rods nanocomposites (with different V₂O₅-ZnO contents ratios; (10:1 (VZ-I), 8:1 (VZ-II) and 6:1 (VZ-III)) prepared via hydrothermal method and characterized for structure, morphology, composition, photoluminescence and optical bandgap by XRD, FESEM, EDX, Photo-Luminescence (PL) and UV–Vis spectroscopy, respectively. Structure of the nanocomposite was reported to consist of both V₂O₅ and ZnO phases, alongwith V₂O₃ phase in slight amount at the hetero-structure. Morphology of the nanocomposites is observed as V₂O₅ nanoparticles (∼10–20 nm), densely anchored into the ZnO nanorods (∼500–700 nm), executing a large surface area. PL spectra indicates that the V₂O₅ emissions peaks get increased in intensity in nanocomposites but decrease with further increase in the ZnO contents. Tauc’s plot is applied to estimate the optical bandgap variation, showing that the bandgap of the nanocomposites lies within those of V₂O₅ and ZnO individual metal oxides, However, it lowers below that of V₂O₅ for the VZ-III nanocomposite. Gas sensors based, on the nanocomposites, were tested for sensitivity in static and dynamic response modes at three distinct temperatures, 100, 140 and 190 °C and the VZ-III nanocomposites exhibits a stable and fast response pattern as compared with the other two nanocomposites and hence declares the VZ-III nanocomposites a promising candidate for gas sensors which is explained on the basis of surface redox reactions and energy band models.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100879"},"PeriodicalIF":3.8,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Engineering amphiphilic gold thiolate clusters for enhanced luminescence and controlled assembly","authors":"Dr. Md. Jahidul Islam,&nbsp;Md. Hafizul Islam","doi":"10.1016/j.chphi.2025.100877","DOIUrl":"10.1016/j.chphi.2025.100877","url":null,"abstract":"<div><div>Amphiphilic gold thiolate clusters have garnered significant interest due to their versatile structural and optical properties, making them valuable for applications in nanotechnology and biophotonics. This study outlines a systematic approach to synthesizing AuS-C11H23-PEG17 gold thiolate nanoparticles through a multi-step process. The thiol ligand, HS-C11-PEG17, is synthesized via reactions involving PEG modification, thiol introduction, and disulfide reduction, with structural confirmation through ¹H NMR and elemental analysis. The subsequent formation of gold thiolate clusters involves reacting AuCl₄·4H₂O with HS-C11-PEG17, followed by purification to yield nanoparticles with a molecular size of 10 nm as measured by DLS (Dynamic Light Scattering). SAXS (Small Angle X-ray Scattering), and HPLC (High-Performance Liquid Chromatography) analyses reveal time-dependent nanoparticle growth and reaction progress, while mass spectrometry identifies cyclic and open tetramer cluster species. AFM imaging highlights solvent- and concentration-dependent assembly morphologies, ranging from multilayers to needle-like structures. Photophysical studies demonstrate an 800-fold increase in emission intensity within 24 h, with emission influenced by alkyl chain length and PEG chain properties. These findings underline the amphiphilic ligand's role in cluster assembly, aurophilic interactions, and optical properties, showcasing the potential of AuS-C11-PEG17 clusters in advanced nanotechnological applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100877"},"PeriodicalIF":3.8,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848155","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent development in plant-mediated zinc oxide nanoparticles with biomedical applications","authors":"Pandiselvi Ravi,&nbsp;Shyamaladevi Babu","doi":"10.1016/j.chphi.2025.100870","DOIUrl":"10.1016/j.chphi.2025.100870","url":null,"abstract":"<div><div>Nanotechnology has emerged as a pivotal field in materials science, fostering innovations and advancements across numerous applications. Among nanoparticles, zinc oxide nanoparticles (ZnO NPs) have garnered significant interest due to their exceptional physicochemical properties, including high exciton-binding energy, wide band gap, biocompatibility, and unique antibacterial, antioxidant, and anti-inflammatory activities. This review highlights the synthesis, structural features, and biomedical applications of ZnO NPs, emphasizing eco-friendly green synthesis methods. These methods leverage biological agents such as plant extracts, fungi, and bacteria, ensuring sustainable, cost-effective, and environmentally benign nanoparticle production. The plant-mediated synthesis of ZnO NPs is particularly notable, utilizing phytochemicals for reducing and stabilizing nanoparticles, which exhibit enhanced biological activity. ZnO NPs hold promise in diverse biomedical applications, including wound healing, cancer therapy, targeted drug delivery, antimicrobial coatings, and Alzheimer's treatment. Their pharmacokinetic behaviour and size-dependent properties are crucial in their therapeutic efficacy and toxicity. Despite their advantages, challenges remain in achieving controlled synthesis and understanding their interaction with biological systems. This review underscores the potential of ZnO NPs as a versatile material for revolutionary advancements in medicine while advocating for sustainable production methods.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100870"},"PeriodicalIF":3.8,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green synthesis and detailed characterization of selenium nanoparticles derived from Alangium salviifolium (L.f) Wangerin","authors":"Karunya Saravanan ,&nbsp;Manivannan Madhaiyan ,&nbsp;Prabu Periyasamy ,&nbsp;Prasath Manivannan ,&nbsp;Alpaslan Bayrakdar ,&nbsp;Dr. V. Balakrishnan","doi":"10.1016/j.chphi.2025.100876","DOIUrl":"10.1016/j.chphi.2025.100876","url":null,"abstract":"<div><div>In recent years, the environmentally sustainable synthesis of selenium nanoparticles (Se NPs) has garnered significant interest owing to its prospective applications in medicine, electronics, and environmental remediation. This work investigates the eco-friendly synthesis of Se NPs using extracts from <em>Alangium salviifolium</em> leaves and fruits, emphasizing the optimization of the extraction method to increase the output of phytochemicals that promote the reduction of selenium ions into nanoparticles. The characterization of the synthesized Se NPs was conducted utilizing sophisticated analytical techniques to clarify their structural, morphological, and compositional attributes. UV–Vis spectroscopy validated the effective synthesis of Se NPs via a characteristic surface plasmon resonance peak. The FTIR study elucidated the functional groups in the extracts and their interactions with selenium throughout the reduction process. XRD analysis demonstrated the crystalline structure of the produced nanoparticles, with peaks aligned to distinct selenium phases, so validating their effective synthesis. FESEM integrated with EDS offered detailed morphological insights and elemental composition analysis, demonstrating uniform distribution and size consistency among the nanoparticals. Elemental mapping further corroborated the presence of selenium within the synthesized structures. Additionally, HR-TEM combined with SAED provided atomic-level insights into the crystallinity and size distribution of Se NPs, revealing their potential for various applications. The synthesized nanoparticles exhibited remarkable stability and biocompatibility, suggesting promising prospects for biomedical applications. This study not only highlights an effective green synthesis route for Se NPs but also underscores the importance of utilizing natural resources in nanomaterial production. The findings contribute significantly to nanotechnology by providing a sustainable approach to nanoparticle synthesis while paving the way for future research into their functional applications across diverse sectors.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100876"},"PeriodicalIF":3.8,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling the therapeutic role of penfluridol and BMS-754,807: NUDT5 inhibition in breast cancer","authors":"Majed S. AlFayi ,&nbsp;Mohd Saeed ,&nbsp;Irfan Ahmad ,&nbsp;Mohd Adnan Kausar ,&nbsp;Samra Siddiqui ,&nbsp;Saba Irem ,&nbsp;Faisal Fawaz Alshammari ,&nbsp;Riadh Badraoui ,&nbsp;Dharmendra Kumar Yadav","doi":"10.1016/j.chphi.2025.100871","DOIUrl":"10.1016/j.chphi.2025.100871","url":null,"abstract":"<div><div>Breast cancer (BC) remains a leading cause of cancer-related mortality among women, with hormone-receptor-positive subtypes frequently developing resistance to standard therapies. Nudix hydrolase 5 (NUDT5), an enzyme integral to ADP-ribose metabolism, DNA repair, and hormone-driven transcription, has emerged as a promising therapeutic target. This study employed computational drug discovery approaches to identify potential NUDT5 inhibitors from FDA-approved compounds in the Drug-Lib database. Virtual screening and molecular docking revealed four promising candidates: Afacifenacin, Penfluridol, Belaperidone, and BMS-754,807. Detailed molecular dynamics simulations validated their stability, with trajectory analyses, including RMSD, RMSF, and PCA-based free energy landscapes, highlighting consistent and favourable interactions. Among these, BMS-754,807 demonstrated the strongest inhibitory potential, with stable binding, superior hydrogen bonding interactions, and the lowest free energy values. These findings emphasize the therapeutic promise of these compounds, particularly BMS-754,807, in targeting hormone-resistant breast cancer. Future in vitro and in vivo studies will be crucial to confirm these results and advance these inhibitors toward clinical applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100871"},"PeriodicalIF":3.8,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, toxicity and antioxidant activity of phenolic benzimidazole derivatives: In vitro and in silico studies","authors":"Mithun Rudrapal ,&nbsp;Mohammad Mojammil ,&nbsp;Azmal Farooque ,&nbsp;Masoom Ansari ,&nbsp;André M. de Oliveira ,&nbsp;Johra Khan","doi":"10.1016/j.chphi.2025.100875","DOIUrl":"10.1016/j.chphi.2025.100875","url":null,"abstract":"<div><div>Benzimidazole derivatives have attracted significant attention due to their diverse pharmacological activities, including antimicrobial, anticancer, and antioxidant properties. This article reports the synthesis of two benzimidazole derivatives (2-(2-benzimidazolyl)phenol (<strong>3a</strong>) and 4-(1H-benzimidazol-2-yl)-2-methoxyphenol (<strong>3b</strong>)) via the condensation of o-phenylenediamine with aromatic aldehydes, their structural characterization using FT-IR, NMR, and HR-MS analyses, and the evaluation of their toxicity, antioxidant potential, and molecular interactions with NAD(P)H oxidase. Acute toxicity tests assessed in zebrafish reveals a concentration-dependent toxic effect. <strong>3a</strong> lethal dose measured to kill 50 % of test fishes was 3.163 mg/L, and 1.88 mg/L for <strong>3b</strong> Antioxidant activity was determined using the DPPH radical scavenging assay, with compound <strong>3a</strong> demonstrating higher radical scavenging efficiency than <strong>3b</strong> Molecular docking studies indicated that both compounds interact with NAD(P)H oxidase, with <strong>3b</strong> showing a stronger binding affinity due to additional functional groups facilitating enhanced interactions, with H-bond interactions between <strong>3a</strong> phenolic OH and Pro 696 and between benzimidazole NH and Asn 710, as well as H-bond interaction between <strong>3b</strong> benzimidazole NH and Glu 482, and steric interactions between 3b O-ether and Tyr 481 and between aromatic ring and Ser 564. Molecular dynamics simulations confirmed that these interactions influenced enzyme flexibility, the <strong>3b</strong> binding region exhibiting much greater flexibility than the ADP and <strong>3a</strong> binding regions, what suggests a negative correlation between binding ability and rigidity, which may be associated with competitive interactions between residues within the enzyme itself and the binding of the <strong>3b</strong> ligand. Density functional theory (DFT) calculations provided insight into the antioxidant mechanisms, suggesting that <strong>3b</strong> predominantly follows a hydrogen atom transfer (HAT) mechanism, whereas <strong>3a</strong> exhibits a stronger electron-donating ability. These findings contribute to the understanding of benzimidazole-based antioxidants and highlight the need for further investigations to optimize their bioactivity and minimize toxicity for potential therapeutic applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100875"},"PeriodicalIF":3.8,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824317","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CH3NH3Pb1−xCuxI3-based solar cell: Numerical study and optimization with different inorganic hole transport layers","authors":"Nabil Bouri ,&nbsp;Abdelali Talbi ,&nbsp;Mohammed Makha ,&nbsp;Amal Bouich ,&nbsp;Tesfaye Abebe Geleta ,&nbsp;Khalid Nouneh","doi":"10.1016/j.chphi.2025.100873","DOIUrl":"10.1016/j.chphi.2025.100873","url":null,"abstract":"<div><div>Doping the absorber hybrid perovskite open a wide research area to improve stability and decreasing toxicity, this brings the solar cell closer to the market and commercialization. The objective of the present study is to examine and refine a solar cell comprising an active lead halide perovskite layer, in which Pb has been partially substituted with Cu. This substitution has occurred on a scale of 2 %. The first step of this work involved validating our calculations by comparing them with experimental results reported in the literature. This comparison included current density-voltage (J-V) characteristics, external quantum efficiency (EQE), and photovoltaic parameters of cells with the structure FTO/TiO₂/perovskite/Spiro-OMeTAD/Au. The simulations showed high similarity with experimental results when Spiro-OMeTAD is used as HTL, with a power conversion efficiency (PCE) of 11.8 %.Then, the influence of replacing Spiro-OMeTAD with several HTL such as CuSCN, Cu₂O, and CuI, as well as the effect of physical parameters of the absorber layer such as the defect density (N_t), thickness (d), radiative recombination coefficient (B_rad), doping concentration (N_A and N_D), series (R_s), and shunt (R_sh) resistance on the device performance was investigated, in addition to operating temperature effect. According to simulation results, Cu₂O as the HTL provides the best performance. The optimal physical parameters for the absorbent layer were found to be N_t=10¹³ cm⁻³, <em>d</em> = 1 µm, B_rad=10⁻¹⁶ cm³/s, N_A=10²⁰ cm⁻³, N_D=10⁹ cm⁻³, R_s=0 Ω.cm², and R_sh=6000 Ω.cm² resulting in a PCE of 26.92 %.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100873"},"PeriodicalIF":3.8,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Construction of MoS2@RGO hybrid catalyst: An efficient and highly stable electrocatalyst for enhanced hydrogen generation reactions","authors":"C.S. Manikandababu ,&nbsp;S. Navaneethan ,&nbsp;M․Infant Shyam Kumar ,&nbsp;S. Ramkumar ,&nbsp;K. Muthukannan ,&nbsp;P. Siva Karthik","doi":"10.1016/j.chphi.2025.100874","DOIUrl":"10.1016/j.chphi.2025.100874","url":null,"abstract":"<div><div>It has been hypothesized that molybdenum disulfide, also known as MoS₂, is an attractive option for the synthesis of hydrogen with a high degree of efficiency. It is preferred to construct a hybrid based on MoS₂ in order to increase the catalytic efficiency, and it is vital to have a grasp of the nature of catalysis in order to make advances in this sector. In this paper, we use reduced graphene oxide, generally known as rGO, to create a MoS₂@RGO hybrid catalyst with a number of favorable characteristics for the hydrogen evolution process (HER). The MoS₂@RGO hybrids are next subjected to a battery of analytical tests, including TGA, XRD, TEM, XPS, Raman and BET. 1T MoS₂@RGO hybrids demonstrated short Tafel slopes (46 and 52 mV.dec^‑1) and low levels of overall (70 and 71 mV versus RHE) in both alkaline and acidic electrolytes, allowing for a high current density of 10 mA.cm². The findings show that HER exists in flawed heterostructures. Because 1T phase molybdenum disulfide (MoS₂) has more functional sites and a higher intrinsic permeability, it is responsible for the catalyst's outstanding HER efficiency. This paper presents a novel way for fabricating highly active and responsive HER catalysts, as well as a way that is both feasible and practical for fabricating defective-MoS₂@RGO heterostructures.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100874"},"PeriodicalIF":3.8,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification of pharmacophore synergism for optimization of estrogen receptor beta binders for hormone dependent forms of breast cancer","authors":"Rania A. Hussien ,&nbsp;Fatmah Ali S. Alasmary ,&nbsp;Vijay H. Masand ,&nbsp;Abdul Samad ,&nbsp;Rahul D. Jawarkar ,&nbsp;Gaurav S. Masand ,&nbsp;Sami A. Al-Hussain ,&nbsp;Magdi E.A. Zaki","doi":"10.1016/j.chphi.2025.100872","DOIUrl":"10.1016/j.chphi.2025.100872","url":null,"abstract":"<div><div>Certain forms of breast cancer, particularly influenced by estrogen hormone, prompt the investigation of estrogen receptors as potential targets for therapeutic interventions. The drug discovery pipeline against breast cancer requires the identification and retention of crucial pharmacophoric features of inhibitors using a multitude of inhibitors comprising diverse scaffolds. In the present study, our focus was on conducting an e-QSAR (easy, efficient, economical, ecofriendly, and explainable QSAR), molecular docking and molecular dynamics simulations analyses on a diverse range of inhibitors that target Estrogen Receptor beta. The newly developed QSAR model upholds a balance between predictive accuracy with R²_tr = 0.799, Q²_LMO = 0.792, and CCCex = 0.886 and also provides mechanistic insights, thus adhering to the guidelines set forth by the Organisation for Economic Co-operation and Development (OECD). The analyses reveal that atoms with sp²-hybridization, specifically carbon and nitrogen atoms, have a significant impact on the binding profile along with lipophilic atoms. Additionally, a specific combination of hydrogen bond donors and acceptors involving carbon, nitrogen, and ring sulfur atoms also plays a crucial role. These novel findings have the potential to greatly aid future drug development targeting estrogen receptor beta.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100872"},"PeriodicalIF":3.8,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Three-step fabrication of TiO2CdS spheres on SiO2 supports for enhanced hydrogen evolution performance","authors":"Zhengyou Li,&nbsp;Alexander V. Soldatov,&nbsp;Aslam Hossain","doi":"10.1016/j.chphi.2025.100869","DOIUrl":"10.1016/j.chphi.2025.100869","url":null,"abstract":"<div><div>Development of novel, low-cost and efficient electrocatalysts for hydrogen evolution reaction (HER) is crucial for sustainable energy applications. In this study, a SiO₂-supported TiO_2<img>CdS spherical composite is presented as a highly effective catalyst for enhanced hydrogen evolution performance. This composite material was synthesized through a three-step process of materials engineering. XRD analysis revealed reduced SiO₂ peak intensity (25°) while UV–vis data indicate a narrowed bandgap (from 2.63 eV to 2.11 eV) with CdS incorporation, confirming surface modification and visible-light responsiveness. FTIR identified Ti–O–Cd interactions and O–H bending vibrations, while TEM imaging demonstrated uniform SiO₂ spheres (200–250 nm) with dense CdS coverage, corroborating successful hierarchical integration. Finally, electrochemical measurements were performed to evaluate the material's electrocatalytic HER performance. The overpotential exhibited a notable decrease from 793 mV to 264 mV at a current density of 10 mA/cm², demonstrating the improved electrocatalytic efficiency as CdS concentration increased. Furthermore, Tafel slope analysis revealed enhanced hydrogen evolution kinetics, with the slope reducing from 189 to 127 mV/dec as CdS content increased. Electrochemical impedance spectroscopy (EIS) results revealed semicircular Nyquist plots for all samples, with the highest CdS-containing sample showing a smaller semicircle, indicating a substantial reduction in charge transfer resistance.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100869"},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}