Journal of Physics and Chemistry of Solids最新文献

{"title":"Optimization of hole transport layers for Cu2FeSnS4 solar cells via SCAPS-1D simulation: Investigating the impact of interface defects on practical efficiency limits","authors":"M.K. Jyolsna Raj ,&nbsp;Kallol Mohanta ,&nbsp;Sebin Devasia ,&nbsp;B. Geetha Priyadarshini","doi":"10.1016/j.jpcs.2025.113193","DOIUrl":"10.1016/j.jpcs.2025.113193","url":null,"abstract":"<div><div>The quaternary Cu₂FeSnS₄ (CFTS) chalcogenide garners significant interest as a sustainable alternative in solar cell applications due to its abundant and non-toxic composition. This study uses SCAPS-1D simulations to examine the performance of CFTS solar cells (ITO/HTL/CFTS (400 nm)/CdS (200 nm)/ZnO (10 nm)/Al) using three distinct hole transport layers (HTLs), namely NiO_x, Cu₂O, and CuI. The simulations led to a deeper understanding of their practical efficiency limits, considering the huge gap in the theoretical and experimental efficiency values reported earlier. The investigations reveal the precise mechanisms and the influence of hole transport layers on the device performance, specifically the bulk and interface defect densities. In addition, the other major aspects of CFTS solar cell performance, including the correlation between electric field, generation rate, and recombination rate are discussed. Our observations suggest that while identifying a suitable hole transport layer, it is imperative to consider these parameters, which are often overlooked in many numerical simulations, resulting in unrealistic theoretical efficiency values in contrast to the low efficiency observed in practical devices. Here, the optimized ITO/CuI/CFTS/CdS/ZnO/Al configuration demonstrated a maximum efficiency of 5.05 %, with a V_oc of 0.55 V, J_sc of 14.5 mA/cm², and FF of 61.8 %, which are in accordance with experimental values reported. Thus, the study here emphasizes the importance of considering the defect densities, electric field, generation rate, and recombination rate to bridge the gap between theoretical and practical efficiency values, which can significantly influence the design strategies to enhance the CFTS solar cell efficiency.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113193"},"PeriodicalIF":4.9,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057228","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":"Chemical analysis of Li–CICs and electrochemical performance before and after electrochemical lithiation for Li-ion capacitor application","authors":"Latiful Kabir ,&nbsp;Jae Doc Na ,&nbsp;Kefayat Ullah ,&nbsp;Won-Chun Oh","doi":"10.1016/j.jpcs.2025.113188","DOIUrl":"10.1016/j.jpcs.2025.113188","url":null,"abstract":"<div><div>For Lithium-Ion Capacitors (LIC), the power density or rate performance are often greatly limited by the anode material. This limitation arises from the difference in the energy storage mechanism between the anode and cathode, energy storage capacities, and the total amount of lithium present in the capacitor system. Therefore, pre-lithiation, which introduces a large quantity of lithium into the anode, is crucial strategy for enhancing LIC performance. For this study, Lithium–Carbon intercalation Compounds (Li–CICs) were synthesized by electrochemically. The lithium salts formed during the synthesis and subsequent electrochemical cell testing play an important role in determining battery performance. According to analysis confirmed that these salts generate from the reaction of lithium with functional groups on the surface of electrode material. The resulting compounds were analyzed using XRD, SEM (EDX), HRTEM, Raman, XPS, and BET techniques. These results are presented to facilitate future studies on the mechanism of electrochemical side reactions. This research characterizes and compares electrodes before and after short-term electrochemical lithiation using three electrode types to investigate the correlation between the degree of lithiation and energy storage capacity. Electrode performance was evaluated through cyclic voltammetry (CV), capacity measurements, electrochemical impedance spectroscopy (EIS), electrode resistance, specific capacitance, energy density, and power density. The half-cell tests demonstrated that all electrochemical properties were enhanced following the lithiation process.<strong>it following the lithiation process.</strong></div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113188"},"PeriodicalIF":4.9,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057187","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":"Bandgap gradient strategy with ultra-thin passivation layer (1 nm) enabling lower SRH voltage loss in perovskite/CdTe Tandem Solar Cells","authors":"Sumaiya Parveen ,&nbsp;Prem P. Singh ,&nbsp;Madan S. Chauhan ,&nbsp;Shiv P. Patel ,&nbsp;Manish K. Singh ,&nbsp;Dhirendra K. Chaudhary ,&nbsp;Ravi S. Singh ,&nbsp;Vidya N. Singh ,&nbsp;Vineet K. Singh","doi":"10.1016/j.jpcs.2025.113187","DOIUrl":"10.1016/j.jpcs.2025.113187","url":null,"abstract":"<div><div>An experimentally demonstrated open-circuit voltage of a CdTe-based solar cell is only 904.8 mV, which is ∼235.2 mV lower than the Shockley–Queisser voltage limit. This voltage loss can be attributed to the factors such as radiative, nonradiative, and thermodynamic recombination losses. To circumvent the voltage loss issue, this study proposes a strategy of implementation a CdSe_0.2Te_0.8 passivation layer in conjunction with graded bandgap absorber layers. Initially, we examined a device with a configuration of V₂O₅/CdTe/ZnSe in absence of passivation layer. This device resulted in a larger Shockley-Read-Hall (SRH) recombination voltage loss of 281 mV and a total voltage loss of 716 mV. We modified this device configuration by utilizing an ultrathin layer (1 nm) of CdSe_0.2Te_0.8, i.e., V₂O₅/CdTe/CdSe_0.2Te_0.8/ZnSe. An ultrathin layer of CdSe_0.2Te_0.8 works as an effective passivation layer, substantially reducing the SRH recombination voltage loss to 46 mV from 281 mV. Interestingly, when a thicker layer of CdSe_0.2Te_0.8 is utilized, it not only acts as a passivation layer but also functions as an absorber layer, creating a bandgap gradient. However, improving the grain boundary between CdSe_0.2Te_0.8 and ZnSe is necessary to further cuts down to SRH recombination voltage loss below 46 mV. To overcome this issue, a thin window layer of CdS_0.102Se_0.336Te_0.562 has been incorporated in between CdSe_0.2Te_0.8 and ZnSe, close to the front contact, which reduces the SRH recombination voltage loss to 20 mV. This SRH recombination voltage loss can be further minimized to zero from 20 mV when the back interface has been optimized. All simulation data have been justified by previous reported experimental finding to validate the proposed simulation models. Additionally, two-terminal and four-terminal perovskite/CdTe tandem configurations have also been proposed and simulated, yielding power conversion efficiency of 28.64 % and 29.80 %, respectively. These findings demonstrate the efficacy of passivation layer, double absorber layer, bandgap grading, window layer, and interface engineering in mitigating SRH recombination voltage loss, offering a roadmap for future perovskite/CdTe tandem solar cells.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113187"},"PeriodicalIF":4.9,"publicationDate":"2025-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057191","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 investigation of SrXSe2 (X = Fe, Co, Ni) compounds: A comparative study of structural, electronic, optical, and thermoelectric properties","authors":"Yazen M. Alawaideh ,&nbsp;Bashar M. Al-khamiseh ,&nbsp;Samer Alawaideh ,&nbsp;Ahmad A. Mousa ,&nbsp;Dima Khater","doi":"10.1016/j.jpcs.2025.113179","DOIUrl":"10.1016/j.jpcs.2025.113179","url":null,"abstract":"<div><div>This study presents a detailed first-principles investigation into the structural, electronic, optical, and thermoelectric properties of SrXSe₂ (X = Fe, Co, Ni) compounds, utilizing density functional theory (DFT) within the WIEN2k computational framework. The substitution of barium (Ba) with strontium (Sr) is strategically explored to retain or enhance the favorable half-metallic and semiconducting properties observed in Ba-based counterparts.</div><div>Structural optimization confirms thermodynamically stable monoclinic phases, characterized by negative formation energies and positive decomposition energies, thereby validating the intrinsic stability of these materials. Spin-polarized electronic band structure calculations reveal robust half-metallicity, with a direct bandgap in the spin-up channel and metallic conductivity in the spin-down channel. Density of states (DOS) analyses highlight strong hybridization between transition metal d-orbitals and selenium p-orbitals, which plays a critical role in shaping the electronic structure.</div><div>Optical analyses exhibit pronounced peaks in the dielectric function and refractive index across the visible spectrum, reinforcing the suitability of these materials for integration into optoelectronic and photonic devices. From a thermoelectric standpoint, the SrXSe₂ compounds display high Seebeck coefficients, low thermal conductivity, and competitive figures of merit (ZT), indicating their strong potential for efficient thermoelectric energy conversion.</div><div>Collectively, the results demonstrate that SrXSe₂ materials not only preserve the multifunctional advantages of their Ba-based analogs but also emerge as compelling candidates for future applications in spintronics and sustainable energy technologies.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113179"},"PeriodicalIF":4.9,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145018398","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":"Interfacial charge-transfer in ZnO@Bi2O3 heterostructures via chemical foaming regulates aqueous zinc–nickel batteries","authors":"Jinyan Tang,&nbsp;Jingtian Tong,&nbsp;Hao He,&nbsp;Tianjian Xu,&nbsp;Jinzheng Yang,&nbsp;Dan Huang,&nbsp;Zhaoyong Chen,&nbsp;Junfei Duan","doi":"10.1016/j.jpcs.2025.113148","DOIUrl":"10.1016/j.jpcs.2025.113148","url":null,"abstract":"<div><div>Aqueous zinc-nickel batteries suffer from severe anode challenges including dendrite growth, self-corrosion, and hydrogen precipitation, which drastically limit their cycle life and performance. Herein, a novel chemical foaming strategy was proposed to scalably fabricate ZnO@Bi₂O₃ heterostructures. ZnO nanocrystals (∼30–80 nm) intimately integrate with Bi₂O₃ via chemically bonded heterointerfaces were prepared combined with thermal decomposition of zinc nitrate hexahydrate and the physical confinement of polyvinylpyrrolidone. Depth-profiling XPS analysis confirms that Bi₂O₃ not only forms a permeable barrier against alkaline electrolyte penetration but also induces interfacial charge redistribution via Bi–O–Zn covalent bonding, which regulates Zn(OH)₄²⁻ migration pathways and suppresses dendrite formation and electrode corrosion. The optimized ZnO@Bi₂O₃-M electrode delivers a coulombic efficiency of over 80 % after 600 cycles at 25 mA cm⁻², accompanied by a specific capacity of 481.8 mAh g⁻¹, and maintains 167.7 mAh g⁻¹ even at 60 mA cm⁻². This study proposes a novel design strategy for high-performance aqueous zinc-nickel battery anode materials via interfacial engineering, coupled with a scalable synthesis route paving the way for industrial implementation.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113148"},"PeriodicalIF":4.9,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145010507","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":"SCAPS-1D study on the design and performance optimization of Sr3NCl3 solar cell: Assessing the significance of copper oxide (Cu2O) and copper(I) thiocyanate (CuSCN) as hole transport layers","authors":"Shailendra Kumar Gupta ,&nbsp;Amit Kumar ,&nbsp;Swapnil Barthwal ,&nbsp;Sadanand ,&nbsp;Neha Garg ,&nbsp;Chinmay K. Gupta ,&nbsp;Vandana Yadav ,&nbsp;Sandeep Sharma ,&nbsp;Durgesh C. Tripathi ,&nbsp;Sanjeev Kumar","doi":"10.1016/j.jpcs.2025.113170","DOIUrl":"10.1016/j.jpcs.2025.113170","url":null,"abstract":"<div><div>Strontium-Nitride-Chloride (Sr₃NCl₃) is a novel lead (Pb)-free, stable absorber material with direct band gap (1.75 eV) that is particularly well suited as a top sub-cell in tandem structures because of its favourable semiconducting properties and hence its potential as an absorber in single junction devices needs to be evaluated. Using SCAPS-1D, we have optimized a Sr₃NCl₃ active layer (ActL) based solar cell by tuning the ActL thickness, defect density and interface properties in FTO (fluorine doped tin oxide)/electron transport layer (ETL)/Sr₃NCl₃ (ActL)/hole transport layer (HTL)/Metal based single junction configuration. Tin sulfide (SnS₂) is used as an ETL and copper based HTLs such as copper oxide (Cu₂O) and copper(I) thiocyanate (CuSCN) are investigated as novel HTLs to optimize the performance of Sr₃NCl₃ solar cells. Simulations for different back metal contacts (Ag, C, Au, Pt and Se) are investigated in with and without HTL devices. Energy band offset and capacitance-voltage analysis reveal the role of back contacts and HTLs in enhancing built-in voltage (V_bi), short circuit current density (J_sc) and open-circuit voltage (V_oc), results in PCE improvement. Sr₃NCl₃ solar cell has achieved PCE ∼23.55 % with V_oc = 1.39 V, J_sc = 19.30 mA cm⁻², and fill factor (FF) = 87.54 %, comparable to that of state-of-the-art Pb-free photovoltaics and found to be within the Shockley-Queisser limits. Without HTL as well, Se metal contact device, maintains comparable high PCE, demonstrating the robustness and strong potential of Sr₃NCl₃ for further exploration. This study places Sr₃NCl₃ to be among the competitive Pb-free absorbers, offering a wide-bandgap alternative for next-generation photovoltaics.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113170"},"PeriodicalIF":4.9,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145003746","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":"Interplay between the enhanced electrical conductivity and optical properties of metal chloride-intercalated graphene bilayers: A DFT study","authors":"Kittiya Prasert ,&nbsp;Ekkaphop Ketsombun ,&nbsp;Watchara Liewrian ,&nbsp;Thana Sutthibutpong","doi":"10.1016/j.jpcs.2025.113171","DOIUrl":"10.1016/j.jpcs.2025.113171","url":null,"abstract":"<div><div>Despite numerous attempts to incorporate various intercalants into graphene for transparent conductor applications, the fundamental interplay between doping mechanisms and optical transparency remains insufficiently understood. In this study, a detailed comparative study on the effects of different metal chloride intercalation on the conductivity and optical properties of graphene bilayers was carried out through density functional theory (DFT) calculations. MoCl₅, FeCl₃, CuCl₂, and NiCl₂ from previous experimental literatures were modeled as dimers intercalated between the 5 × 5 supercells of graphene bilayers with three different stacking configurations. For each model, conductivity was estimated from the band structure by the Landauer-Datta-Lundstrom approach, while optical properties were determined from the complex dielectric constants. The DFT results displayed an enhanced electrical conductivity and p-type characteristics, while the linear dispersion of graphene was mostly preserved. The MoCl₅ models were with the highest conductivity of 3.7 × 10⁶–4.3 × 10⁶ S/m and the highest number of flat bands near the Fermi level. As the results, MoCl₅ also possessed high refractive index and reflectivity, which might hinder their uses in solar cell applications. However, the NiCl₂ models with a lower flat band density near the fermi level possessed the second highest conductivity around 2.2 × 10⁶–2.9 × 10⁶ S/m and still retained the reflectivity of 0.34 % or lower. This complex interplay between electrical and optical properties due to the introduction of localized electronic states or flat bands near the fermi level would require further study towards the development of ideal transparent electrodes for applications on solar cells and tunable photonic devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113171"},"PeriodicalIF":4.9,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057188","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":"Tunable electronic properties of AlAs/WSe2 heterojunctions with Sb/Mo doping under external electric field and biaxial strain","authors":"Luwen Tao,&nbsp;Wenhao Wang,&nbsp;Xing Wei,&nbsp;Yan Zhang,&nbsp;Li Duan,&nbsp;Jibin Fan","doi":"10.1016/j.jpcs.2025.113164","DOIUrl":"10.1016/j.jpcs.2025.113164","url":null,"abstract":"<div><div>In this paper, the geometrical arrangement, electronic structure and optical properties of AlAs/WSe₂ heterojunctions as well as Sb/Mo doped AlAs/WSe₂ heterojunctions are investigated on the basis of density-functional theory (DFT). The geometric structures of three heterostructures-A1 (undoped), B1 (Sb-doped), and C1 (Mo-doped)-are optimized to determine their stability. The results reveal that all heterojunctions exhibit reduced bandgaps compared to their constituent monolayers, thereby enhancing photogenerated carrier separation efficiency. In addition, the AlAs/WSe₂ heterostructure demonstrates remarkable band structure tunability under external electric fields or mechanical strain, enabling controllable type-I to type-II band alignment transitions. While the three AlAs/WSe₂ heterostructures exhibit slight variations in light absorption capacity, their absorption coefficients are consistently and significantly higher than those of individual AlAs and WSe₂ monolayers. These findings demonstrate that AlAs/WSe₂ heterostructures exhibit remarkable potential for optoelectronic device applications, particularly in photodetection.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113164"},"PeriodicalIF":4.9,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145026782","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":"Mechanistic elucidation of PVP-functionalized GO in modulating SnS2-g-C3N4 heterojunctions for rhodamine B degradation under visible light","authors":"Fowzia S. Alamro ,&nbsp;Ashraf A. Mohamed ,&nbsp;Safwat A. Mahmoud ,&nbsp;Hoda A. Ahmed ,&nbsp;Arafat Toghan ,&nbsp;Mohamed Farg ,&nbsp;Mohamed A. Ahmed ,&nbsp;Mahmoud A. Ahmed","doi":"10.1016/j.jpcs.2025.113180","DOIUrl":"10.1016/j.jpcs.2025.113180","url":null,"abstract":"<div><div>This study presents a groundbreaking PGOGSn10 nanocomposite, fabricated through the strategic incorporation of PVP-functionalized GO into a SnS₂/g-C₃N₄ heterostructure, to significantly amplify its photocatalytic role for Rhodamine B (RhB) mineralization. While SnS₂/g-C₃N₄ (GSn10) systems are limited by relatively quick charge recombination and insufficient surface-active sites, the PVP-GO matrix (PGO) serves as a multifunctional mediator, boosting interfacial electron migration via π-π conjugation, preventing agglomeration, suppressing carrier recombination, and providing a suitable surface-area scaffold for dye adsorption and ROS generation. Advanced characterization analysis, including XRD, XPS, and HRTEM, validated the successful hybridization of PGO with GSn10 (PGOGSn10), revealing a 2D/3D hierarchical architecture with lattice-resolved SnS₂ (111) planes anchored onto ultrathin g-C₃N₄ nanosheets. FTIR confirmed chemical bonding between PVP's carbonyl groups and GO's oxygen functionalities, while XPS deconvolution spectra highlighted interfacial C–N–Sn bridging bonds critical for charge delocalization. Optical studies (DRS, PL) reflected a narrowed bandgap (2.4 eV) and 75 % reduction in PL intensity for PGOGSn10 versus SnS₂/g-C₃N₄, corroborated by EIS showing a 2.5-fold decrease in charge-transfer resistance. The optimized PGOGSn10 achieved 97.6 % RhB mineralization within 90 min (rate constant k = 0.029 min⁻¹), outperforming SnS₂/g-C₃N₄ composite (k = 0.016 min⁻¹) and pristine g-C₃N₄ (k = 0.0034 min⁻¹). Radical trapping experiments and terephthalic acid (TA) fluorescence assays quantified •OH and •O₂⁻ as the dominant ROS. Operational optimizations identified pH 7 as ideal (zeta potential = −32 mV for electrostatic RhB adsorption) and 0.1 g/L dose (Langmuir-Hinshelwood kinetics). Remarkably, PGOGSn10 retained 85 % efficacy after 5 reuse times.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113180"},"PeriodicalIF":4.9,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057186","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":"Characterization of PVCA–PVDF/ZnO composite polymer electrolytes for energy storage applications: Microstructure, electrical, and nanoscale free-volume properties","authors":"A.M. Ismail ,&nbsp;K.R. Mahmoud ,&nbsp;S. El-Gamal ,&nbsp;Gh Mohammed","doi":"10.1016/j.jpcs.2025.113144","DOIUrl":"10.1016/j.jpcs.2025.113144","url":null,"abstract":"<div><div>Composite polymer electrolytes (CPEs) are increasingly attracting interest for next-generation, solid-state energy-storage technologies. A green, single-step aqueous casting technique was utilized to synthesize a PVCA-PVDF blend loaded with nanosized ZnO and complexed with dual ionic salts, specifically LiClO₄ and Li₂SO₄. XRD analysis revealed a synergistic reduction in PVDF crystallinity and enhanced amorphousness stemming from blending and salt complexation, while ZnO retained its high crystallinity. FTIR spectra confirmed successful salt complexation and ZnO incorporation, and SEM analysis demonstrated smooth, crack-free surfaces, indicating effective polymer blending and maintained homogeneity after doping. Thermogravimetric analysis (TGA) revealed an increase in the thermal stability of prepared films compared to the blend. Dielectric spectroscopy (permittivity, electric modulus, and Cole-Cole analysis) showed that complexation with 10 wt% LiClO₄ increased σ_ac by five orders to 1.1 × 10⁻⁴ S cm⁻¹ at 25 °C, meeting the benchmark for practical lithium batteries and flexible supercapacitors. Positron annihilation lifetime and Doppler broadening spectroscopy linked this enhancement to ZnO-mediated shrinkage of free-volume holes and suppressed positronium formation, confirming complete LiClO₄ complexation. By correlating nanostructure with ion transport, this work introduces a tunable, water-processable electrolyte platform that combines safety, sustainability, and high conductivity, benefiting society's transition to clean-energy storage.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113144"},"PeriodicalIF":4.9,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145003747","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}