Journal of Electronic Materials最新文献

{"title":"Tailoring Dielectric and Impedance Properties of PVDF Nanocomposites via Conductive and Porous Nanofillers for Energy Storage Applications","authors":"Shahnaz Kossar,&nbsp;Asif Rasool,&nbsp;A. S. Ismail,&nbsp;Mohammad Ayaz Ahmad,&nbsp;Kasim Sakran Abass,&nbsp;Hamit Ismaili,&nbsp;Syed Khalid Mustafa,&nbsp;Rasha Jame,&nbsp;Hatem A. Al-Aoh","doi":"10.1007/s11664-026-13051-1","DOIUrl":"10.1007/s11664-026-13051-1","url":null,"abstract":"<div><p>The development of polymer-based dielectric materials with high dielectric permittivity, low dielectric loss, and excellent thermal stability remains a significant challenge for advanced energy storage applications. In the present work, poly(3,4-ethylenedioxythiophene)-<i>b</i>-poly(ethylene glycol) (PEDOT-<i>b</i>-PEG), zeolite 13X, and nano-carbon black (CB) were individually incorporated into a polyvinylidene fluoride (PVDF) matrix using a solution-casting technique. The structural and morphological analysis were carried out by Fourier transform infrared spectroscopy (FTIR), x-ray diffraction (XRD), and scanning electron microscopy (SEM) and confirmed the uniform dispersion of nanofillers in the PVDF matrix. The thermal stability was investigated by using thermogravimetric (TGA) analysis for the various nanofiller-incorporated nanocomposites, i.e., PVDF/zeolite13X, PVDF/CBNPs, and PVDF/PEDOT-<i>b</i>-PEG nanocomposites. The dielectric measurement including the dielectric constant (<i>ε</i>), loss tangent (tan<i>δ</i>), and AC conductivity (<i>σ</i>_ac) was carried out in the 50 Hz–10 MHz frequency range at room temperature. The PVDF/zeolite13X nanocomposite displayed the best performance out of all nanocomposites, with a high ε and relatively low tan<i>δ</i>, showing its potential in energy storage applications. A Cole–Cole plot revealed a semicircular arc formation for the nanocomposite with zeolite 13X and CB. The present comparative study provides valuable insights into the role of conductive and porous nanofillers in tailoring the dielectric behaviour of PVDF and offers an effective strategy for the design of lightweight, flexible, and high-performance dielectric materials for next-generation energy storage applications.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7829 - 7840"},"PeriodicalIF":2.8,"publicationDate":"2026-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrasound-Assisted Synthesis of Na0.44MnO2/CQDs Composites as Cathode Materials with Long Life and Rate Capability for Sodium-Ion Batteries","authors":"Xiaoli Cao,&nbsp;Xinwei Wang,&nbsp;Limin Zhu,&nbsp;Daorong Li","doi":"10.1007/s11664-026-13045-z","DOIUrl":"10.1007/s11664-026-13045-z","url":null,"abstract":"<div><p>Na_0.44MnO₂ (NMO), a pristine material, has been achieved through the application of the rheological phase reaction technique, and carbon quantum dots (CQDs) were also successfully synthesized. CQDs are composited onto the surface of the native material using the ultrasound-assisted method, to form a series of Na_0.44MnO₂/CQDs (NMO/CQDs) composites with different mass ratios, which were assembled into sodium-ion batteries (SIBs) as the cathode material. Physical characterization showed that the crystal characteristics of NMO were not changed by the arrival of the CQDs, the surface of NMO was successfully compounded with CQDs, and the morphological features of NMO were not changed. Charge/discharge tests results showed that the NMO/CQD-3 wt.% composite material possessed a highest discharge specific capacity of up to 141.7 mAh g⁻¹, which is a significant increase compared with that of the native material. In conclusion, the utilization of ultrasound-assisted techniques in the synthesis process of NMO/CQD composites as cathode materials for SIBs has the potential to enhance the electrochemical performance of NMO.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7809 - 7818"},"PeriodicalIF":2.8,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Facile Synthesis of Highly Selective Porous Sn Electrocatalyst for Electrochemical CO2 Reduction to Formate","authors":"Samina Farid,&nbsp;Ashi Rashid,&nbsp;Aneela Anwar,&nbsp;Muhammad Ahsan Khan","doi":"10.1007/s11664-026-13040-4","DOIUrl":"10.1007/s11664-026-13040-4","url":null,"abstract":"<div><p>Electrochemical CO₂ reduction to formic acid is a promising pathway for sustainable carbon utilization, but efficient and durable Sn-based catalysts remain limited. Here, an <i>in situ</i> electrochemical approach is employed to fabricate a porous Sn electrocatalyst via highly cathodic polarization of polycrystalline Sn in alkaline medium. The resulting catalyst features a hierarchical porous structure with a high density of grain boundaries. In CO₂-saturated NaHCO₃ electrolyte, the <i>in situ</i> synthesized Sn exhibits an early onset potential and delivers a maximum formate Faradaic efficiency of 95% at −1.01 V versus. reversible hydrogen electrode (RHE), significantly outperforming pristine Sn. The enhanced activity is attributed to increased active sites arising from grain boundary enrichment and porous morphology. The catalyst maintains structural integrity and achieves 92% formate selectivity over 12 h of continuous electrolysis at 12 mA cm⁻². <i>In situ</i> Raman spectroscopy and density functional theory (DFT) calculations elucidate key reaction intermediates, demonstrating the potential of <i>in situ</i> engineered Sn catalysts for efficient CO₂-to-liquid conversion.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7797 - 7808"},"PeriodicalIF":2.8,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analysis of Doped TiO2 and Quantum Size Effect Influence on the Performance of CdTe Quantum Dot Solar Cells via the SCAPS Framework","authors":"Rahamatulla Molla,&nbsp;Shaheen Aktar,&nbsp;Abiral Tamang,&nbsp;Nurul Alam,&nbsp;Brajadulal Chattopadhyay","doi":"10.1007/s11664-026-12988-7","DOIUrl":"10.1007/s11664-026-12988-7","url":null,"abstract":"<div><p>Quantum dot solar cells (QDSCs) are widely regarded as promising third-generation thin-film photovoltaic devices due to their high efficiency, superior optical properties, and excellent light-trapping capabilities. This study explores the Solar Cell Capacitance Simulator in one dimension (SCAPS-1D) simulation tool to investigate the electrical performance of CdTe-based QDSC architectures, focusing on an FTO/TiO₂/CdTe QDs/CuO layered structure. The effects of absorber layer thickness and TiO₂ electron transport layer (ETL) doped with various metallic doping agents (W, Cu, Mo, and Al) were systematically analysed using SCAPS-1D to identify optimum design parameters for better device performance. The simulation analysis revealed that an absorber thickness of 500 nm yielded the maximum permissible value for maintaining optimal performance, with a threshold defect density of 1 × 10¹⁶ cm⁻³. The influence of CdTe quantum dot size on solar cell behaviour was also examined, which showed a significant improvement in power conversion efficiency (PCE) for QDs with a diameter of 4.15 nm and a bandgap of 1.94 eV compared to the reported CdTe bulk PCE values. Amongst the doped ETLs, Cu-doped TiO₂ (Cu/TiO₂) showed the highest performance, achieving PCE of 24.3%, which exceeded the pristine TiO₂ devices. The optimized structural and electrical parameters as identified in this work may offer a valuable guideline for the development of high-efficiency thin-film and light-transmitting QDSCs.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>CdTe quantum dot-based solar cell showing increase in efficiency with a decrease in QD size and bandgap tuning by doping with various dopants.</p></div></div></figure></div></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7784 - 7796"},"PeriodicalIF":2.8,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Indium Oxide-Coated Stainless Steel Mesh Cycling in an Ionic Liquid as a Flexible Electrode","authors":"Abdulcabbar Yavuz","doi":"10.1007/s11664-026-13054-y","DOIUrl":"10.1007/s11664-026-13054-y","url":null,"abstract":"<div><p>Electrodeposition of an indium-based coating on a stainless steel mesh current collector was performed using an ionic liquid comprising InCl₃. Aqueous (alkaline and neutral) and non-aqueous (ionic liquid) electrolytes were used to cycle indium-coated steel mesh. The indium-based electrode was not electrochemically stable in aqueous solutions because the indium layer was oxidized and dissolved during cycling. The ionic liquid, on the other hand, could be employed as a cycling electrolyte for indium-based coatings on stainless steel since the indium-based layer did not dissolve when the electrode was scanned in a non-aqueous ionic liquid electrolyte. The electrode’s structure and composition analysis established the production of In₂O₃ in the ionic liquid electrolyte. After cycling in ionic liquid environments, the In₂O₃ film exhibited cubic and rhombohedral structures. When indium-coated steel mesh is cycled in an ionic liquid medium at the negative potential window, it exhibits redox peaks, whereas uncoated steel is not electroactive at the same potential window. As a result, stainless steel mesh covered with In₂O₃ is a potential negative electrode for energy storage devices. Under these conditions, the specific capacitance of the electrode reached 150 F g⁻¹.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7819 - 7828"},"PeriodicalIF":2.8,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"NiO–Graphite Composite Electrodes for Dye-Sensitized Solar Cells: Correlating Morphology and Structure with Enhanced Photovoltaic Performance","authors":"Eka Nurfani,&nbsp;M. Adhi Hardjatmo,&nbsp;M. Alvien Ghifari,&nbsp;Rishal Asri,&nbsp;Resti Marlina,&nbsp;Jumaeda Jatmika,&nbsp;Asnan Rinovian,&nbsp;Meqorry Yusfi,&nbsp;Robi Kurniawan,&nbsp;Muhamad F. Arif","doi":"10.1007/s11664-026-13044-0","DOIUrl":"10.1007/s11664-026-13044-0","url":null,"abstract":"<div><p>In this work, a NiO–graphite composite is investigated as a low-cost counter electrode (CE) material that combines the high electrical conductivity of graphite with the electrocatalytic activity of nickel oxide (NiO). The composite films were fabricated by spin-coating with NiO content of 0 wt.% (CN0%), 1 wt.% (CN1%), 3 wt.% (CN3%), and 4 wt.% (CN4%) relative to graphite. Structural and morphological characterization was carried out using x-ray diffraction (XRD), Raman spectroscopy, and field-emission scanning electron microscopy coupled with energy-dispersive x-ray spectroscopy (FESEM–EDX). The structural analysis confirms the formation of crystalline NiO uniformly distributed on the graphite surface, forming a well-integrated composite interface up to CN3%. In the CN4% sample, agglomeration of NiO is observed. Photovoltaic characterization reveals that incorporation of NiO significantly enhances the performance of dye-sensitized solar cells (DSSCs) compared with pristine graphite. An optimal NiO loading of CN3% yields the highest power conversion efficiency of 0.145%, representing an improvement of more than two orders of magnitude relative to the CN0% electrode (0.001%). The performance enhancement is primarily attributed to improved catalytic activity for the redox reaction and more efficient charge transfer at the counter-electrode/electrolyte interface, as evidenced by increased current density and improved <i>J</i>–<i>V</i> characteristics. These findings demonstrate that NiO incorporation is an effective strategy for enhancing the performance of graphite-based CEs and highlight the potential of NiO–graphite composites as sustainable, platinum-free alternatives for DSSC applications.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7775 - 7783"},"PeriodicalIF":2.8,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ce-Doped ZnO@GO Nanocomposites with Tunable Oxygen Defects for Enhanced Charge Transfer and Multifunctional Performance","authors":"Nhuong Chu Manh,&nbsp;Truong Mai Xuan,&nbsp;Lan Nguyen Thi Hien,&nbsp;Duong Thanh Hoa,&nbsp;Chu Ngoc Lieu,&nbsp;Huu-Tap Van,&nbsp;Le Tien Ha","doi":"10.1007/s11664-026-12996-7","DOIUrl":"10.1007/s11664-026-12996-7","url":null,"abstract":"<div><p>This study reports the development of Ce-doped ZnO@GO nanocomposites (ZnO:Ce@GO) with tunable defect structures for enhanced visible-light-driven photocatalytic and antibacterial performance. ZnO nanoparticles doped with 3 mol.% Ce were integrated with graphene oxide (GO) at controlled loadings (0-6 wt.%), forming defect-rich heterostructures with improved interfacial charge-transfer pathways. Structural and surface analyses confirm effective Ce incorporation into the ZnO lattice and strong interfacial coupling with GO, while x-ray photoelectron spectroscopy (XPS) results reveal the modulation of Ce⁴⁺/Ce³⁺ redox states and oxygen vacancy concentrations governing the electronic structure. The incorporation of GO enhances surface functionality and electron mobility, leading to improved adsorption affinity and charge transport behavior. Ultraviolet–visible diffuse reflectance spectroscopy (UV–Vis DRS) analysis shows an apparent redshift, which is attributed to defect-induced band-tail states and interfacial electronic interactions rather than intrinsic bandgap modification. Photocatalytic degradation of tetracycline (TC) follows pseudo-first-order kinetics under visible-light irradiation, whereas the dark-stage adsorption is better described by a pseudo-second-order model. The optimized ZnO:3%Ce@6%GO composite exhibits significantly enhanced performance (88.89% removal after 315 min; <i>k</i>_app = 4.73 × 10⁻³ min⁻¹), approximately 2.4 times that of pristine ZnO. The improved activity is attributed to the synergistic interaction between Ce-induced defect trapping and GO-mediated electron transport, which effectively suppresses charge recombination and promotes the generation of reactive oxygen species (^·OH, ^·O₂⁻). Importantly, the enhancement arises from a cooperative interaction between defect-mediated charge trapping and GO-enabled electron transport, rather than from individual contributions of each component. In addition, the composite demonstrates notable antibacterial activity against <i>Citrobacter</i> sp., indicating its multifunctional capability. Comparative analysis with recent ZnO-based systems suggests that this co-engineering strategy provides a more effective pathway for regulating charge-carrier dynamics than conventional single-modification approaches. These findings highlight a mechanistically supported and potentially scalable strategy for the design of advanced ZnO-based photocatalysts for antibiotic removal and antimicrobial applications.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7869 - 7890"},"PeriodicalIF":2.8,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Controllable Band Structure Engineering of CoxNi1−x-ZIF/TiO2 Heterojunction for Durable Photocathodic Protection","authors":"Qianxilong Wang,&nbsp;Jiaqing Liu,&nbsp;Jiansheng Wang,&nbsp;Xiongfeng Zeng,&nbsp;Ruimin Wang,&nbsp;Yingna Zhao","doi":"10.1007/s11664-026-13026-2","DOIUrl":"10.1007/s11664-026-13026-2","url":null,"abstract":"<div><p>Photocathodic protection has emerged as a promising green strategy for mitigating metal corrosion; however, its practical application is still limited by the insufficient visible-light response of conventional semiconductors and the rapid recombination of photogenerated charge carriers. To address these challenges, Co_<i>x</i>Ni_1−<i>x</i>-zeolitic imidazolate framework (ZIF)/TiO₂ nanotube array composite photoanodes were fabricated and applied for the photocathodic protection of 304 stainless steel (304SS). By introducing different proportions of Co²⁺ and Ni²⁺ into the ZIF framework, the electronic structure of the bimetallic ZIFs was effectively regulated. Co_0.5Ni_0.5-ZIF exhibited the most favorable band alignment with TiO₂, enabling the formation of a type-II heterojunction and promoting efficient separation of photogenerated charge carriers. Under illumination in 3.5 wt.% NaCl solution, the optimized composite photoanode induced a negative shift of the open-circuit potential of 304SS to −0.44 V and reduced the corrosion current density by approximately one order of magnitude. Furthermore, pitting corrosion was significantly suppressed, with the pitting potential shifting from −0.50 V to −2.43 V. Long-term immersion tests under natural light conditions demonstrated stable photocathodic protection performance for up to 28 days.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7982 - 7995"},"PeriodicalIF":2.8,"publicationDate":"2026-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Plasmonic-Redox Coupled AuFe/CuTiO3 Perovskite Nanocomposite: Hydrothermal Synthesis, Solar Photocatalytic Dye Mineralization, and Dielectric Behavior","authors":"Hameed Ullah,&nbsp;Muhammad Saud Khan,&nbsp;Kamran Tahir,&nbsp;Waleed Y. Rizg,&nbsp;Iftikhar Ahmad Khan,&nbsp;Shafiullah Khan,&nbsp;Zia Ullah Khan","doi":"10.1007/s11664-026-13038-y","DOIUrl":"10.1007/s11664-026-13038-y","url":null,"abstract":"<div><p>A nanocomposite AuFe/CuTiO₃ was synthesized using a hydrothermal method to examine its photocatalytic dye degradation, dielectric properties, and photocatalytic charge transport properties. The successful formation of orthorhombic CuTiO₃ with dispersed AuFe nanoparticles was verified by Fourier transform infrared (FTIR) spectroscopy, x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), electron microscopy (EM), Brunauer–Emmett–Teller (BET) surface area analysis, thermogravimetric analysis (TGA), and x-ray photoelectron spectroscopy (XPS). XRD showed the characteristic reflections of CuTiO₃, such as slight peak broadening with the addition of AuFe, which suggests a decrease in crystallinity. FTIR spectroscopy was able to identify the region where the Ti–O and Cu–O bonds are present. Structural analysis showed the presence of rod-like structures with AuFe nanoparticles uniformly dispersed throughout. The charge transport and polarization mechanisms of the AuFe/CuTiO₃ system were elucidated by dielectric studies, which included dielectric loss, impedance, alternating-current (AC) conductivity, Q-factor, and dielectric peculiarities. The incorporation of AuFe was shown to improve charge transport and decrease electron–hole recombination. The interactive effect of the plasmonic absorption of light by Au and redox of Fe, heterojunction formation, and charge separation of defects were responsible for the improved performance of the photocatalyst, ultimately enabling 90% crystal violet (CV) degradation after 50 min, compared to 70% on pure CuTiO₃, and exhibiting pseudo-first-order degradation with higher rate caps (<i>k</i> = 0.535 min⁻¹ and 0.861 min⁻¹ at 350 nm and 590 nm, respectively). A reduced bandgap (~2.2 eV) further supports enhanced visible-light utilization driven by dielectric and charge transport modulation. The AuFe/CuTiO₃ photocatalyst also demonstrated good reusability over multiple cycles and exhibited a near-neutral point of zero charge (7.5), favoring electrostatic interaction with CV.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7752 - 7774"},"PeriodicalIF":2.8,"publicationDate":"2026-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-Efficiency Lead-Free Rb2AgBiBr6 Perovskite Solar Cells: Computational Design and Optimization Using DFT and SCAPS-1D Simulations","authors":"Asad Ullah,&nbsp;Muhammad Asad,&nbsp; Ihtisham-ul-haq,&nbsp;Rafi Ullah,&nbsp;Muhammad Rafiq,&nbsp;Alishba Zulfiqar,&nbsp;M. Atif","doi":"10.1007/s11664-026-12987-8","DOIUrl":"10.1007/s11664-026-12987-8","url":null,"abstract":"<div><p>Recent advancements in perovskite solar cells (PSCs) have driven extensive research into improving their performance, leveraging their exceptional optoelectronic properties. However, the toxicity of lead (Pb) in conventional perovskites has led to a search for alternatives that are less toxic. In this study, the double perovskite material Rb₂AgBiBr₆ is investigated as a potential lead-free absorber material for photovoltaic (PV) applications. We show that it has a direct bandgap of 1.66 eV, high charge carrier conductivity, and high absorption in the visible spectrum, all calculated using density functional theory (DFT). Analysis of the density of states (DOS) indicates that the Bi-s and Ag-s states are important, and Rb–Br bonding is important for the structural stability. Furthermore, SCAPS-1D simulations are performed to optimize device performances using various electron transport layers (ETLs) (Nb₂O₅, CdZnS, AZnO, LBSO) and hole transport layers (HTLs) (MASnBr₃, CNTs, CdTe, Cu₂O, GaAs, Sb₂S₃, ZnTe, PTAA, PEDOT:PSS, and P3HT). Among these ETLs and HTLs, the combination of Nb₂O₅showed the best performance, followed by CdZnS, AZnO, LBSO, and MASnBr₃. The fluorine-doped tin oxide (FTO)/Nb₂O₅/Rb₂AgBiBr₆/MASnBr₃/Au configuration was found to be the most efficient, with power conversion efficiency (PCE) of 24.98%, while the values of <i>J</i>_SC, <i>V</i>_OC, and FF were 20.77 mA/cm², 1.44 V, and 83.17%, respectively. Generation/recombination rates, quantum efficiency (QE), and <i>J</i>–<i>V</i> characteristics were further analyzed, which confirmed the robustness of the device. The effect of series/shunt resistance, operating temperature, and defect density on the performance was also investigated, which showed that they were stable under different scenarios. These results position Rb₂AgBiBr₆ as a promising, environmentally friendly material to replace lead-based perovskites in next-generation solar cells and suggest a viable route to developing abundant, stable, and efficient alternatives to lead-based perovskites. The work offers valuable insights that are important for future experimental manufacturing, facilitating the development of eco-friendly photovoltaics.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 9","pages":"7715 - 7735"},"PeriodicalIF":2.8,"publicationDate":"2026-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148695664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}