Journal of Physics and Chemistry of Solids最新文献

{"title":"Silicon decorated graphene nanoplates modified anode and MnO2 interlayer as a multifunctional polysulfides barrier for advanced pre-lithiation silicon-sulfur batteries","authors":"Navid Aslfattahi ,&nbsp;Maryam Sadat Kiai ,&nbsp;Nilgun Baydogan ,&nbsp;Lingenthiran Samylingam ,&nbsp;Kumaran Kadirgama ,&nbsp;Chee Kuang Kok","doi":"10.1016/j.jpcs.2025.112812","DOIUrl":"10.1016/j.jpcs.2025.112812","url":null,"abstract":"<div><div>The development of advanced anodes with high capacity and excellent high-rate cycling performance for next generation of sulfur-based batteries has emerged as a significant area of research. In this study, we present a straightforward approach to design and fabricate silicon/graphene nanoplates using a one-step hydrothermal method. Notably, a pomegranate-like structure is achieved in the silicon/graphene nanoplates (Si/GNP) spheres, with distinctive porous pomegranate architecture not only enhances the electrical conductivity of the active silicon but also accommodates substantial volume changes during cycling. Additionally, to enhance redox reactions and hinder shuttle effect, GNP/MnO₂ composites is investigated as an interlayer. The MnO₂ particles are in-situ grown on the surface of the GNP. The metal oxide MnO₂ can enhance chemical adsorption during the electrochemical cycles. As a result, the cell with GNP/MnO₂interlayer and Si/GNP anode spheres exhibit remarkable cycling stability, delivering capacity retention of 986 mAh g⁻¹ after 300 cycles, indicating a commendable cycling performance. The cell performance was investigated across different current densities. Notably, substantial discharge capacities of 831 and 719 mAh g⁻¹ were attained even at 2C and 5C current densities. The synthetic approach we have developed presents an innovative route for high-performance practical anodes and interlayers intended for electrochemical energy storage applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112812"},"PeriodicalIF":4.3,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143882087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles calculations to investigate photovoltaic, photocatalytic, and spintronic properties of Fe-doped and alloyed MgSiO3 perovskite","authors":"Aya Chelh,&nbsp;Boutaina Akenoun,&nbsp;Smahane Dahbi,&nbsp;Hamid Ez-Zahraouy","doi":"10.1016/j.jpcs.2025.112773","DOIUrl":"10.1016/j.jpcs.2025.112773","url":null,"abstract":"<div><div>The structural, electronic, optical, and photocatalytic properties of pure and iron (Fe)-doped and alloyed MgSiO₃ at silicon (Si) site have been explored using the first-principles calculations based on density functional theory. The results reveal a band gap of 9.10 eV for pure MgSiO₃, obtained using the PBE-GGA approximation combined with the mBJ potential. The results show that the doped compounds (MgSi<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>Fe<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> where x = 0.16 and 0.33) behave as p-type semiconductors with a direct band gap. However, when MgSiO₃ compound is heavily doped, with concentrations reaching between x = 0.83 and x = 1, it exhibits as a semiconductor with an indirect band gap. Moreover, the total substitution (x = 1) of Si by Fe in MgSiO₃ leads to a significant reduction in the band gap value, from 9.10 eV for pure MgSiO₃ (x = 0) to 1.36 eV for MgFeO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> (x = 1). This decrease leads to the increase of the absorption coefficient in the visible region, reaching more than <span><math><mrow><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>5</mn></mrow></msup><mspace></mspace><msup><mrow><mi>cm</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>. According to thermodynamic analysis based on the enthalpy of formation, every structure under study is stable. Furthermore, the compounds also showed promise in splitting water to generate hydrogen especially at x = 0.16 and x = 0.33 concentrations. The magnetic characteristics calculations prove a useful use of the doped compounds in the spintronics applications. These results suggest that the Fe doped-MgSiO₃ compounds can be used in photovoltaic, photocatalytic, and, spintronic devices, opening up promising prospects for various technological applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112773"},"PeriodicalIF":4.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel synthesis of hybrid 0D/2D heterojunctions of synthesis hybrid Ti3C2 MXene/Carbon dots (CDs)/ZnO for enhanced activity of removal of pharmaceutical pollutants under visible-light","authors":"Phongsakorn Kantang ,&nbsp;Aphinya Thinthasit ,&nbsp;Indra Memdi Khoris ,&nbsp;David Nugroho ,&nbsp;Jaebeom Lee ,&nbsp;Pathomthat Srisuk ,&nbsp;Suwat Nanan ,&nbsp;Rachadaporn Benchawattananon","doi":"10.1016/j.jpcs.2025.112813","DOIUrl":"10.1016/j.jpcs.2025.112813","url":null,"abstract":"<div><div>This study investigates the production and photocatalytic efficacy of a Ti₃C₂ MXene/CDs/ZnO composite for the degradation of pharmaceutical contaminants, namely metronidazole and paracetamol, under visible light and sunlight. The catalyst was produced via a hydrothermal process and studied using XRD, SEM, TEM, FTIR, UV–Vis DRS, and EIS techniques. The findings demonstrate substantial photocatalytic efficacy, attaining 99 % degradation of metronidazole and paracetamol in 100 and 180 min, respectively, under visible light. Optimal photocatalytic conditions were determined, encompassing pollutant concentration, catalyst dosage, and pH. Mechanistic investigations reveal hydroxyl radicals as the principal active species, augmented by superoxide anions and holes. The catalyst exhibited strong reusability across five cycles with negligible efficiency decline. The application in actual water source demonstrated significant degradation efficiencies, highlighting its potential for environmental restoration.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112813"},"PeriodicalIF":4.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring interstitial electronic states in electride materials: DFT+U+V insights into Li8Au","authors":"Dmitry Y. Novoselov,&nbsp;Mary A. Mazannikova","doi":"10.1016/j.jpcs.2025.112772","DOIUrl":"10.1016/j.jpcs.2025.112772","url":null,"abstract":"<div><div>Using Li<span><math><msub><mrow></mrow><mrow><mn>8</mn></mrow></msub></math></span>Au electride as a model system, we investigate the way to account for local and non-local correlation effects on interstitial states in electrides employing DFT+U+V approach, which incorporates both on-site and inter-site Coulomb interactions. It accurately captures the correlations in the states of the atoms composing the cavity frameworks, which effectively form the electride orbitals localized within these cavities. A comparison between DFT+U+V and Dynamical Mean Field Theory (DMFT), where the interstitial quasi-atomic state is explicitly treated as a correlated impurity, finds that the former is able to reveal the essential features of the Li<span><math><msub><mrow></mrow><mrow><mn>8</mn></mrow></msub></math></span>Au electride electronic structure. In this way, it is possible to observe the formation of well-localized magnetic moments that do not belong to the atoms of the crystal lattice framework. These findings provide an effective methodology for identifying the electronic structure of low-dimensional correlated electrides and investigating their related physical properties.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112772"},"PeriodicalIF":4.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143878798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel 2D transition metal carbo-chalcogenides as anode materials: A comparative study of Sc2S2C and Sc2Se2C monolayers","authors":"Shahab Rahimi Herabad,&nbsp;H. Rahimpour Soleimani,&nbsp;Mohammad Ali Mohebpour","doi":"10.1016/j.jpcs.2025.112779","DOIUrl":"10.1016/j.jpcs.2025.112779","url":null,"abstract":"<div><div>The increasing global demand for efficient energy storage systems has prompted extensive research aimed at enhancing the performance of rechargeable batteries, particularly through the discovery and application of novel two-dimensional (2D) materials. Transition metal carbo-chalcogenides (TMCC), a class of nanosheets, show great promise due to their high electrical conductivity and significant lithium storage capacity, making them excellent candidates for anode materials in metal-ion batteries. In this study, we investigate and compare the structural stability and electrochemical performance of two such monolayers, Sc₂S₂C and Sc₂Se₂C, as anodes in rechargeable lithium-ion and sodium-ion batteries. Using first-principles density functional theory (DFT) calculations, we predict low diffusion barriers for lithium ion migration on both surfaces, enabling rapid ion diffusion and promising fast charge/discharge rates. Furthermore, the capacity for multi-layer lithium adsorption results in storage capacities exceeding 600 mAh/g, with an average open-circuit voltage (OCV) around 0.6 V for both materials, positioning them as highly suitable for anode applications. Our comprehensive analysis highlights the potential of Sc₂S₂C and Sc₂Se₂C monolayers as high-performance anode materials for next-generation energy storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112779"},"PeriodicalIF":4.3,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143882844","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lowering of lattice thermal conductivity through strain application on LiCaB half-heusler alloys in presence of aliovalent doping","authors":"Geetimallika Das,&nbsp;Bulumoni Kalita","doi":"10.1016/j.jpcs.2025.112809","DOIUrl":"10.1016/j.jpcs.2025.112809","url":null,"abstract":"<div><div>In this study, we have used DFT method to investigate the impact of aliovalent doping and strain on the electronic and thermoelectric properties of <em>LiCaB</em> half-Heusler alloy. Doping of <em>Mg</em>, <em>Ca</em> (divalent) and <em>In</em> (trivalent) atoms in the X-site of <em>LiCaB</em> at various concentrations has been explored. The results show significant reduction in <em>κ</em>_<em>l</em> due to increased phonon scattering caused by the heaviest dopant <em>In</em>. The lowest <em>κ</em>_<em>l</em> is recorded to be 1.25 <em>W/mK</em> (800 K) for <em>Li</em>_{<em>0·75</em>}<em>In</em>_{<em>0·25</em>}<em>CaB</em>, marking a ∼79% reduction compared to the pristine alloy (5.94 <em>W/mK</em>). Application of isotropic strain further reduced the <em>κ</em>_<em>l</em> of <em>Li</em>_{<em>0·75</em>}<em>In</em>_{<em>0·25</em>}<em>CaB</em>, significantly by 64% to 0.45 <em>W/mK</em> (800 K). Such lowering in <em>κ</em>_<em>l</em> has resulted in reduced <em>κ</em>_<em>tot</em>, which in turn influenced the transport properties. In particular, the total figure of merit (<em>ZT</em>_<em>tot</em>) of pristine <em>LiCaB</em> (0.56) increased by ∼5% in <em>Li</em>_{<em>0·75</em>}<em>In</em>_{<em>0·25</em>}<em>CaB</em> (0.59) and this enhancement could even be boosted up to ∼36% with <em>ZT</em>_<em>tot</em> of 0.80 when the doped system was introduced with compressive strain of 8%. Accordingly, the conversion efficiency (<em>η</em>) of <em>LiCaB</em> increased by ∼23% in <em>Li</em>_{<em>0·75</em>}<em>In</em>_{<em>0·25</em>}<em>CaB</em>, which was subsequently augmented by ∼13% in strained <em>Li</em>_{<em>0·75</em>}<em>In</em>_{<em>0·25</em>}<em>CaB</em>. These findings highlight the possibility of improvement in performance of thermoelectric materials through combined approach of aliovalent doping and strain application.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112809"},"PeriodicalIF":4.3,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation and catalytic performance of porous magnetically recyclable Fe3O4@ZIF-8@Cux/Pdy catalyst","authors":"Wang Li ,&nbsp;Yikang Zhao ,&nbsp;Yan Liu ,&nbsp;Wenbing Yan ,&nbsp;Zhe Chen ,&nbsp;Wen Yang","doi":"10.1016/j.jpcs.2025.112807","DOIUrl":"10.1016/j.jpcs.2025.112807","url":null,"abstract":"<div><div>Magnetic catalysts are increasingly recognized for their potential in promoting efficient recycling processes. In this study, a series of Fe₃O₄@ZIF-8@Cu_x/Pd_y magnetic catalysts were fabricated through an environmentally - friendly synthetic route. The inclusion of Fe₃O₄ imparts robust magnetic properties to the catalysts, thereby facilitating their facile separation and recycling. Meanwhile, the ZIF-8 structure on the surface remarkably enlarges the specific surface area, providing more available reaction sites. The catalytic activity is predominantly ascribed to the Cu/Pd component, which functions as the active center. To investigate the microstructure and crystal structure of the catalysts, we employed various analytical techniques, including TEM, XRD, and XPS et al. The model reaction 4-nitrophenol (4-NP) reduction to 4-aminophenol (4-AP) was employed to assess the catalyst's performance. The results revealed that the optimal catalytic activity was achieved when the catalyst contained 0.1 mmol of Cu and 0.07 mmol of Pd, which the reaction was completed within merely 80 s, with a rate constant (k) of 0.0513 s⁻¹. This formulation not only demonstrated excellent catalytic performance but also held a distinct advantage in terms of convenient recyclability, which is of great significance for practical applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112807"},"PeriodicalIF":4.3,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143878797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ionic liquid-decorated melamine–terephthalaldehyde framework as an efficient metal-free nano-catalyst for fructose dehydration into 5-hydroxymethylfurfural","authors":"Sima Darvishi ,&nbsp;Samahe Sadjadi ,&nbsp;Majid M. Heravi","doi":"10.1016/j.jpcs.2025.112810","DOIUrl":"10.1016/j.jpcs.2025.112810","url":null,"abstract":"<div><div>An efficient nano-catalyst based on melamine–terephthalaldehyde framework with ionic liquid functionality (MTF-IL) was synthesized through the post-synthetic modification of organic linkers with 1-methylimidazolium bromide. This MTF-IL was investigated for its efficacy as a metal-free nano-catalyst in fructose dehydration to synthesize 5-hydroxymethylfurfural (HMF). Optimization <em>via</em> Response Surface Methodology (RSM) identified optimal reaction conditions of 21 wt% catalyst, 100 °C, and 50 min, resulting in a remarkable HMF yield of 98 % in DMSO. Kinetic studies suggested that the dehydration process mediated by MTF-IL follows pseudo-first-order kinetics, exhibiting a low activation energy of 14 kJ. mol⁻¹ at optimal conditions. The nature of the anion pair in MTF-IL significantly influenced its catalytic activity, with enhanced performance corresponding to bromide. Additionally, MTF-IL demonstrated characteristics of a heterogeneous catalyst, facilitating straightforward recovery and reuse. This research underscores the potential of covalent organic framework-derived solid acid catalysts for the valorization of biomass carbohydrates.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112810"},"PeriodicalIF":4.3,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pnictogen-based zintl Compounds: Unlocking the electronic, optical, and thermoelectric potential of Mg2ZnX2 (X = P, as, sb)","authors":"Sidra Naz ,&nbsp;Nabeel Israr ,&nbsp;Ammar M. Tighezza ,&nbsp;Shamim Khan ,&nbsp;Syed Hatim Shah ,&nbsp;G. Murtaza","doi":"10.1016/j.jpcs.2025.112805","DOIUrl":"10.1016/j.jpcs.2025.112805","url":null,"abstract":"<div><div>This paper presents a comprehensive first-principles investigation into the electronic, optical, mechanical, and thermoelectric properties of Pnictogen-based Zintl compounds Mg₂ZnX₂ (X = P, As, Sb). By employing the GGA-PBEsol approach and refining through the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential, it is revealed that Mg₂ZnP₂ and Mg₂ZnAs₂ exhibit direct band gaps, while Mg₂ZnSb₂ has an indirect band gap, with tunable values of (1.47, 0.99, and 0.26) eV, respectively. These insights open new possibilities for precise electronic tailoring. The structure stability of Mg₂ZnX₂ (X = P, As, Sb) were conformed to performed phonon dispersion. Our elastic property analysis confirms the mechanical stability and ductility of all compounds, positioning them as robust candidates for practical applications. Furthermore, optical properties highlight their potential in next-generation optical devices. Thermoelectric performance, evaluated through the BoltzTraP code, reveals an impressive ZT value of 0.83 at 1000 K for Mg₂ZnP₂, marking it as highly efficient for thermoelectric applications. The multifunctionality and high potential of Mg₂ZnX₂ compounds make them exciting prospects for advanced optoelectronic and thermoelectric devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112805"},"PeriodicalIF":4.3,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143874432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 new p-n heterojunction CuO–Ag2WO4 supported on Ni foam as an efficient photocatalyst in the synthesis of some 2-substituted benzimidazoles, as effective antibacterial drugs","authors":"Jianxing Cai ,&nbsp;Zhihui Hao ,&nbsp;Lining Xia ,&nbsp;Jinquan Wang ,&nbsp;Zongyang Sun","doi":"10.1016/j.jpcs.2025.112806","DOIUrl":"10.1016/j.jpcs.2025.112806","url":null,"abstract":"<div><div>2-substituted benzimidazoles are important pharmaceuticals with a wide range of therapeutic activities and because of their antibacterial potential against many pathogenic bacteria including Gram-positive and Gram-negative bacteria including Klebsiella pneumoniae. This study unveils a new strategy for addressing environmental issues and global energy through the in-situ photocatalytic oxidation of benzyl alcohols to benzaldehydes, followed by the synthesis of a variety of 2-substituted benzimidazoles by the presence of CuO–Ag₂WO₄–Ni foam p-n heterojunction photocatalyst. This innovative photocatalyst demonstrates unparalleled catalytic performance, facilitating the synthesis of benzimidazoles in remarkably high yields via condensation with <em>o</em>-phenylenediamine. Utilizing an extensive suite of characterization techniques including X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), field emission scanning electron microscopy (FESEM), UV–Vis diffuse reflectance spectroscopy (DRS), and Mott-Schottky analysis, revealed the structural robustness and distinctive nanostructure of the catalyst. Under the illumination of a green laser (<em>λ</em> 535 nm) in an aqueous environment, the CuO–Ag₂WO₄–Ni foam exhibited extraordinary stability and reusability, coupled with ease of separation from reaction mixture. The unique morphology of the foam, characterized by a highly porous architecture and expanded surface area, plays a critical role in enhancing photocatalytic activity by promoting effective charge separation and transfer mechanisms. The proposed photocatalytic mechanism is driven by reactive species, including superoxide radicals (•O₂⁻) and hydroxyl radicals (OH•), along with photogenerated holes (h⁺). Electrochemical impedance spectroscopy (EIS) and Mott-Schottky analyses elucidate the intricacies of charge transport dynamics and semiconductor properties intrinsic to the photocatalyst. The minimal leaching of catalytic species during repeated catalytic cycles underscores its practical viability for industrial applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112806"},"PeriodicalIF":4.3,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143882845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}