RSC Advances最新文献

{"title":"Efficient and rapid removal of thiophene sulfides from fuel using zirconia-loaded phosphotungstic acid†","authors":"Rui Liang, Yu Hu, YuFang Ye and Qing Wang","doi":"10.1039/D5RA02041G","DOIUrl":"https://doi.org/10.1039/D5RA02041G","url":null,"abstract":"<p >In this study, a new type of composite was synthesized <em>via</em> the sol–gel method. The structure and properties of the composite were analyzed using X-ray diffraction, scanning electron microscopy, nitrogen isothermal adsorption and desorption tests, Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. Characterization results showed that phosphotungstic acid (PW<small>₁₂</small>) was successfully loaded on zirconium dioxide (ZrO<small>₂</small>). The oxidative desulfurization performance of 500 ppm dibenzothiophene (DBT) was studied with H<small>₂</small>O<small>₂</small> as the oxidant and <em>x</em>PW<small>₁₂</small>/ZrO<small>₂</small> as the catalyst. Under optimal conditions (<em>T</em> = 60 °C, O/S = 2 and <em>m</em> = 0.03 g), the desulfurization rate reached 97.85% within 20 min, and the activity did not decrease significantly after 8 cycles. The kinetics of the reaction was studied at different temperatures. Results showed that the oxidation rate conforms to quasi-first-order kinetics and the apparent activation energy is 23.32 kJ mol<small>⁻¹</small>. Therefore, the composite material is expected to be a catalyst for oxidative desulfurization.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16532-16539"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02041g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"BSA-ICG-Cu(ii) complex as an NIR-responsive multifunctional platform for wound healing: deciphering therapeutic action in vitro†","authors":"Jayashree Roy, Sahely Saha, Manjari Shukla, Sudipta Bhattacharyya, Raviraj Vankayala and Indranil Banerjee","doi":"10.1039/D5RA00155B","DOIUrl":"https://doi.org/10.1039/D5RA00155B","url":null,"abstract":"<p >Therapeutic platforms suitable for NIR-responsive antimicrobial treatments through photothermal and photodynamic modalities are gaining attention in treating chronic wounds. The efficiency of such platforms can be further enhanced by making them angiogenic and a promoter of fibroblast activities. Herein, we report a novel molecular platform composed of bovine serum albumin (BSA), indocyanine green (ICG) and bivalent copper (Cu(<small>II</small>)) using green chemistry by exploiting the affinity of ICG and Cu(<small>II</small>) ions towards BSA. We hypothesized that in the BSA-ICG-Cu(<small>II</small>) complex, ICG will help in producing heat and reactive oxygen species under NIR (808 nm) exposure, which can kill bacteria; Cu(<small>II</small>) will induce angiogenesis and BSA will activate dermal fibroblasts. The SEM images of the BSA-ICG-Cu(<small>II</small>) complex revealed a bead and fibril structure at the microscale. Biophysical studies (UV-vis-NIR, fluorescence and CD spectroscopy) indicated stable complex formation through the involvement of the hydrophobic BSA core. A study on NIR-mediated (808 nm LASER) killing of bacteria (<em>S. aureus</em> and <em>E. coli</em>) confirmed the photothermal and photodynamic efficiencies of the BSA-ICG-Cu(<small>II</small>) complex. At the cellular level, dermal fibroblasts, when treated with the BSA-ICG-Cu(<small>II</small>) complex, showed significant enhancement in cell migration and cellular VEGF expression (∼2.8 fold). The <em>in vitro</em> angiogenesis study using HUVEC cells demonstrated that the complex can promote tube formation. In conclusion, the BSA-ICG-Cu(<small>II</small>) complex can serve as a multifunctional NIR-responsive therapeutic platform capable of exerting antibacterial, angiogenic and fibroblast-activating properties, which are beneficial for chronic wound therapy.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16540-16554"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00155b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Microwave-assisted synthesis of a zirconium-based MOF as an efficient catalyst for one-pot synthesis of xanthene derivatives: in silico study as a potential anti-HIV RNA†","authors":"Mohammed S. Alsalhi, Mahmoud Tarek, Gehad E. Said, Abdulrahman A. Almehizia, Ahmed M. Naglah and Tamer K. Khatab","doi":"10.1039/D5RA02959G","DOIUrl":"https://doi.org/10.1039/D5RA02959G","url":null,"abstract":"<p >Firstly, construction and characterization of a novel Zr/VitB<small>₃</small> metal organic framework have been described. The physicochemical analysis and morphological properties of Zr-MOF has been accomplished by IR, SEM, EDX, TEM, and XRD. Cyclic diketones and various aromatic aldehydes were efficiently and ecologically benignly condensed in a single pot, yielding a range of tetrahydroxanthenediones in good to excellent yields. The utilization of a heterogeneous catalyst, solventless conditions, and a straightforward process that is atom-economical and yields low <em>E</em>-factor values are some of the benefits of this multicomponent reaction. The catalyst can be used up to three times and is completely recyclable. Advantages include a clean methodology, high yield, and straightforward catalyst preparation. Additionally, the study investigates the potential binding interactions of Zr-MOF with the HIV-RNA major groove, revealing its exceptional stability and strong binding affinity. The binding energy score of the Zr-MOF with HIV-RNA was found to be remarkably low at −12.32 kcal mol<small>⁻¹</small>, indicating its potential to significantly outperform the reference molecule, nevirapine, which showed a higher <em>E</em>-score of −4.98 kcal mol<small>⁻¹</small>. Xanthene derivatives were also evaluated for their binding affinity to the viral major groove, with energy scores ranging from −5.55 to −6.40 kcal mol<small>⁻¹</small>, further indicating a promising potential for anti-HIV drug design. These findings underscore the potential of Zr-MOF and xanthene derivatives as potent candidates for HIV treatment, surpassing the reference molecule in terms of binding strength.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16654-16666"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02959g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimized nanostructured In2O3 gas sensors: harnessing annealing-induced defects and oxygen vacancies for ultra-sensitive and selective H2S detection at trace levels†","authors":"Tanya Sood, Ramseena Thundiyil, Anusha, Saikat Chattopadhyay and P. Poornesh","doi":"10.1039/D5RA01394A","DOIUrl":"https://doi.org/10.1039/D5RA01394A","url":null,"abstract":"<p >Achieving selectivity and high sensitivity for specific analytes at trace levels remains a significant challenge for chemiresistive gas sensors. In this study, nanostructured indium oxide (In<small>₂</small>O<small>₃</small>) gas sensors were synthesized <em>via</em> spin coating for detection of hydrogen sulphide (H<small>₂</small>S) gas at trace levels. The influence of annealing temperature on the gas sensing performance for the deposited nanostructured gas sensors was systematically investigated. The sensor annealed at 350 °C exhibited outstanding performance, with rapid response time of (17 ± 1) seconds for H<small>₂</small>S gas concentrations of 4 ppm, at an optimal operating temperature of 250 °C. Additionally, it achieved an exceptional sensing response of (36.52 ± 2.02)% and (97.89 ± 0.08)% for 0.5 ppm and 4 ppm H<small>₂</small>S gas respectively. The remarkable sensing performance is attributed to the presence of structural defects, voids and oxygen vacancies, which enhance gas adsorption and reactivity. These findings demonstrate that In<small>₂</small>O<small>₃</small> nanostructured gas sensors are highly effective for the reliable detection and monitoring of H<small>₂</small>S gas in practical applications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16555-16569"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01394a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantitative structure–activity relationship model to predict the stability constant of uranium coordination complexes for novel uranium adsorbent design†","authors":"Hyun Kil Shin and Youngho Sihn","doi":"10.1039/D5RA02220G","DOIUrl":"https://doi.org/10.1039/D5RA02220G","url":null,"abstract":"<p >A quantitative structure–activity relationship (QSAR) model for predicting the stability constant of uranium coordination complexes to accelerate the discovery of novel uranium adsorbents was developed and evaluated. Effective uranium adsorbents are crucial for mitigating environmental and health risks associated with uranium wastewater, an unavoidable byproduct of nuclear fuel production and power generation, as well as for sequestering uranium from seawater. QSAR modeling addresses the limitations of quantum mechanics calculations and offers a time- and cost-efficient computational approach for exploring vast chemical spaces. The QSAR model was built using a dataset of 108 uranium complexes, incorporating features such as physicochemical properties, coordination numbers of ligands, molecular charge, and the number of water molecules. Catboost regressor achieved an <em>R</em><small>²</small> of 0.75 on the external test set after hyperparameter optimization. Applicability domain analysis was conducted to evaluate model predictive performance. The QSAR model predicts stability constants from the molecular composition alone and is a valuable tool for the efficient design of safer and more sustainable uranium adsorption materials, potentially improving uranium collection processes.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16588-16596"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02220g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084825","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ag-based delafossite structure prepared by solid-state reaction: investigation of optical, electrical, and dielectric properties","authors":"Minyar Mnakri, Sourour Ben yahya, Mohamed Tliha, Regis Barillé and Abderrazek Oueslati","doi":"10.1039/D5RA02410B","DOIUrl":"https://doi.org/10.1039/D5RA02410B","url":null,"abstract":"<p >A<small>^I</small>B<small>^III</small>O<small>₂</small> delafossite-type oxide materials have garnered considerable attention due to their significant physical and chemical characteristics, which have expanded their applications across various devices. This research examines AgCrO<small>₂</small>, highlighting its advantageous optical and electrical properties. X-ray diffraction (XRD) analysis confirms that the studied sample is well-crystallized in an orthorhombic structure with an <em>R</em><img><em>m</em> space group. The studied compound with a particle size of 1.75 μm was identified using transmission electron microscopy (TEM). The band gap energy was determined through UV-visible spectroscopy and was found to be 2.8 eV. A detailed analysis of Nyquist plots demonstrates the sensitivity of the material's electrical characteristics to variations in frequency and temperature. Applying Jonscher's power law to the AC conductivity as a function of temperature suggests that the conduction mechanism in the temperature range of 313 K to 613 K can be explained by the correlated barrier hopping (CBH) model, with an activation energy of 0.47 eV from 313 K to 493 K and 1.03 eV from 523 K to 613 K. Parameters such as the hopping distance <em>R</em><small>_ω</small> and the density of localized states N(EF) were determined. The Kohlrausch–Williams–Watts (KWW) equation was employed to analyze the asymmetric curves of the electrical modulus. Additionally, the thermal variation of permittivity was interpreted using the Maxwell–Wagner effect as described by Koop's theory. Moreover, its high capacity and electrical conductivity highlight its potential for application in optoelectronic devices.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16433-16444"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02410b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fabrication of aramid-based antimicrobial polypropylene composite membranes functionalized with thiazolidine-based nanoparticles","authors":"Javaria Kanwal, Sara Musaddiq, Sadia Iqbal, Faryal Nazar Balouch, Sajjad Ahmad, Mohammad Abul Farah, Mohammad Ajmal Ali and Francis Verpoort","doi":"10.1039/D5RA00748H","DOIUrl":"https://doi.org/10.1039/D5RA00748H","url":null,"abstract":"<p >A series of 2-substituted 1,3-thiazolidine-4-carboxylic acid nanoparticle (TNP)-loaded aramid-based composite polypropylene (PP) membranes (<strong>PM-1</strong> to <strong>PM-5</strong>) have been fabricated <em>via</em> the phase-inversion method. For this purpose, the TNPs (<strong>1a–5a</strong>) were first synthesized by an anti-precipitation technique and characterized using ultraviolet-visible (UV/Visible) and X-ray diffraction (XRD) analyses. PP membranes loaded with TNPs were then prepared and characterized using scanning electron microscopy (SEM) and Fourier transform infrared (FTIR) analyses. The TNPs, and PP membranes loaded with the same, were subjected to antimicrobial evaluation against the Gram-negative bacteria <em>Escherichia coli</em> (<em>E. coli</em>). The TNPs exhibited significant antibacterial potential against the selected bacterial strains. Sample <strong>3a</strong>, <em>i.e.</em>, a nitro-substituted derivative of TNPs, was found to be the most active sample tested, with a 12 mm zone of inhibition. Similarly, all the PP membranes exhibited encouraging antifouling properties. Among them, membranes <strong>PM-3</strong> and <strong>PM-5</strong> loaded with nitro- and thienyl-substituted derivatives of TNPs (<em>i.e.</em>, <strong>3a</strong> and <strong>5a</strong>) exhibited excellent antifouling activity. In addition, the TNPs and loaded PP membranes were also screened for their antiviral potential against the Hemagglutinin 9 Neuraminidase 2 (H9N2) and Infectious Bronchitis Virus (IBV) viral strains, and TNPs <strong>3a</strong> and <strong>5a</strong> were found to be the most active antiviral agents, while the membranes loaded with the same, <em>i.e.</em>, <strong>PM-3</strong> and <strong>PM-5</strong>, also exhibited significant antiviral potential. This study presents the design and development of innovative composite membranes that can be used to efficiently disinfect water through the integration of advanced nanomaterials and refined fabrication techniques.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16607-16621"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00748h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure-directed synthesis of bimetallic ZIF-67 LDH nanocomposites for high-performance supercapacitors†","authors":"Zia Ur Rehman, Shanshan Yao, Antonio Miotello, Mouna Ben Henda, Umar Farooq, Irum Aziz, Talal M. Althagafi, Zainab M. Almarhoon, Magdi E. A. Zaki and Afaq Ullah Khan","doi":"10.1039/D5RA01889G","DOIUrl":"https://doi.org/10.1039/D5RA01889G","url":null,"abstract":"<p >The energy storage ability of a device highly depends on the morphology of the materials used. A structure-directing agent (SDA) can be used to design materials with a specific surface morphology. Zeolite imidazole (ZIF-67) is a favorable electroactive material for energy storage devices. Here, we present a novel approach for synthesizing a ZIF-67 derived NiCo layer double hydroxide hollow surface sheet like morphology, in which potassium fluoroborate acts as a SDA. The hollow sheets possess the largest specific capacitance of 1171 F g<small>⁻¹</small> at 1 A g<small>⁻¹</small>. The energy storage device composed of ZIF-67 derivatives and a carbon electrode presents a maximum energy density of 26 W h kg<small>⁻¹</small> at a power density of 804 W kg<small>⁻¹</small>. The device shows good cyclic stability of 84% after 10 000 charge–discharge cycles. These outcomes reveal the promising potential of zeolite imidazole (ZIF-67)-based materials for use in next-generation energy storage devices.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16667-16676"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01889g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New sugar-derived compounds as inhibitors of carbon steel against corrosion in acid solutions: experimental analyses and theoretical approaches†","authors":"M. Rbaa, A. Barrahi, R. Seghiri, Konstantin P. Katin, Elyor Berdimurodov, Hatem A. Abuelizz, C. Jama, F. Bentiss, B. Lakhrissi and A. Zarrouk","doi":"10.1039/D5RA00835B","DOIUrl":"https://doi.org/10.1039/D5RA00835B","url":null,"abstract":"<p >The purpose of this study is to investigate the acid corrosion inhibition efficiency on carbon steel (CS) by utilizing two novel quinoxaline derivatives obtained from the reaction of recently synthesized <small>D</small>-mannose (<strong>MR<small>₁</small></strong> and <strong>MR<small>₂</small></strong>) <em>via</em> nucleophilic substitution (SN<small>₁</small>). The synthesized compounds were recently characterized by <small>¹³</small>C-NMR and <small>¹</small>H-NMR spectroscopy. Electrochemistry testing was employed to evaluate their protective efficiency, whereas the surface was investigated using X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). The results indicate that the two inhibitors <strong>MR<small>₁</small></strong> and <strong>MR<small>₂</small></strong> exhibit inhibition efficiencies of 95.3% and 94.8% at 10<small>⁻³</small> M for <strong>MR<small>₁</small></strong> and <strong>MR<small>₂</small></strong>, respectively. The impedance results indicated that the incorporation of <strong>MR<small>₁</small></strong> and <strong>MR<small>₂</small></strong> into the corrosive medium reduces charge capacitance, hence systematically enhancing the interface charge/discharge function and creating an adsorbed layer on the metal surface. Moreover, SEM, water contact angle, and XPS techniques corroborated the formation of a protective coating on the carbon steel substrate surface following the incorporation of <strong>MR<small>₁</small></strong> and <strong>MR<small>₂</small></strong>. The chemical interaction mechanisms at the atomic scale were analysed using theoretical calculations, DFT calculations and MD simulations.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16570-16587"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00835b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084848","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative study of ultraviolet absorption properties between iron selenide nanoparticles and zinc oxide nanoparticles based on first-principles calculations","authors":"Yuqi Gao, Dong Zhang, Dingming Cao, Jing Bai, Kun Guo, Xiangyu Li, Haodong Yan, Yalong Chen and He Zhang","doi":"10.1039/D5RA01705J","DOIUrl":"https://doi.org/10.1039/D5RA01705J","url":null,"abstract":"<p >The intensification of global warming has exacerbated health risks associated with prolonged exposure to high-intensity ultraviolet (UV) radiation. Zinc oxide (ZnO), widely utilized as an inorganic physical sunscreen in commercial products, faces challenges such as significant photodegradation under prolonged UV exposure and limited absorption capacity primarily in the ultraviolet radiation A (UVA) range. These limitations necessitate the development of novel materials with enhanced UV absorption efficiency. In this context, iron selenide (FeSe), known for its metallic nature and broad UV absorption spectrum, emerges as a promising candidate. This study systematically investigates the UV absorption properties of FeSe nanoparticles (NPs) for the first time, comparing them with ZnO NPs through integrated experimental and first-principles theoretical approaches. Results demonstrate that FeSe exhibits superior UV absorption properties compared to ZnO, with a maximum absorption coefficient of 2.5 × 10<small>⁵</small> cm<small>⁻¹</small> at 220 nm. This work not only systematically investigates the UV absorption properties of FeSe for the first time but also establishes a theoretical and experimental foundation for designing stable, high-efficiency UV-absorbing materials.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16635-16642"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01705j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}