Journal of Inorganic and Organometallic Polymers and Materials最新文献

{"title":"Exceptional Visible-Light-Driven Photodegradation Performance Over N-Rich g-C3N5 Decorated Flower-like SrMoO4 Nanohybrids: Analysis of Mechanism, Efficacy and Degradation Pathway","authors":"S. Muralidharan,&nbsp;M. Arunpandian,&nbsp;E. R. Nagarajan,&nbsp;Tae Hwan Oh,&nbsp;K. Selvakumar","doi":"10.1007/s10904-025-03699-3","DOIUrl":"10.1007/s10904-025-03699-3","url":null,"abstract":"<div><p>This study successfully synthesized heterogeneous SrMoO₄/g-C₃N₅ nanocomposites photocatalyst using a simple hydrothermal method. The optical, structural, and catalytic properties of the proposed catalyst were studied. The photocatalytic activity of the heterogeneous SrMoO₄/g-C₃N₅ nanocomposite catalyst was assessed for the degradation of CR dye under irradiation with visible light (λ &lt; 400 nm). The SrMoO₄/g-C₃N₅ photocatalyst has proven to be an excellent catalyst for the degradation of CR dye. The specified consequences indicate that effectively integrating dispersed SrMoO₄ nanoparticles with a g-C₃N₅ matrix can enhance visible-light absorption capacity, increase specific surface area, reduce the mobility of photogenerated charge carriers, and significantly improve the photocatalytic properties of the system. The SrMoO₄/g-C₃N₅ nanocomposite photocatalyst achieved 82% photodegradation of CR dye after 90 min, with a sustained degradation rate of 0.0197 min^− 1, which is approximately 6 and 1.5 times superior to that of SrMoO₄ and g-C₃N₅ nanomaterials, respectively, under visible light irradiation and thus the SrMoO₄/g-C₃N₅ nanocomposite is demonstrated high photocatalytic activity which follows Z-scheme mechanism. The trapping test confirmed that ^˙O₂⁻ radicals are the predominant reactive species in the catalytic process. A plausible mechanism for catalysis by the SrMoO₄/g-C₃N₅ nanocomposites was demonstrated. A degradation mechanism was suggested based on LC-MS characterization of the reaction intermediates. The SrMoO₄/g-C₃N₅ nanocomposites demonstrated stability, ease of recovery, and recyclability with minimal loss of activity, contributing to sustainable photocatalytic advancements in effectively degrading organic pollutants in environmental wastewater treatment and energy conversion.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6832 - 6852"},"PeriodicalIF":4.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021631","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing the OER Activity of Hybrid CuO/PANI Electrocatalyst Through Organic–Inorganic Interactions","authors":"Mishkat Majeed,&nbsp;Samira Elaissi,&nbsp;Abhinav Kumar,&nbsp;Syed Kashif Ali,&nbsp;Jayanti Makasana,&nbsp;Suhas Ballal,&nbsp;RSK Sharma,&nbsp;Piyus Kumar Pathak,&nbsp;Rahul Raj Chaudhary,&nbsp;Vijayalaxmi Mishra","doi":"10.1007/s10904-025-03627-5","DOIUrl":"10.1007/s10904-025-03627-5","url":null,"abstract":"<div><p>The recent study aims to form a cost-effective, efficient, reliable electrocatalyst for electrochemical oxygen evolution reaction to produce green energy. In this context, the design and manipulation of valence states of transition metals provide a viable approach for developing efficient electrocatalysts for oxygen evolution reactions. Enhanced valence-metal sites may improve the reaction rates. The physicochemical properties of CuO are altered by incorporating PANI, which has increased valence-metal sites and a porous structure formed by interconnected small nanoparticles. Herein, the design and synthesis of a novel CuO/PANI nanocomposite exhibit significantly enhanced OER electrocatalytic performance and durability. By utilizing the synergistic interplay between CuO nanoparticles and the PANI matrix, we achieve a low overpotential of 209 mV and a Tafel slope (36 mV/dec) at 10 mA/cm² current density (Cd) with excellent stability over 40 h. Our experimental analysis reveals that the PANI matrix is crucial in optimizing CuO’s electronic structure and binding energy, facilitating the OER process. These calculations further elucidate the enhanced OER activity, revealing a reduced energy barrier for water oxidation. This work highlights the potential of CuO/PANI nanocomposites as high-performance electrocatalysts for OER. It paves the way for developing efficient and sustainable energy conversion devices, inspiring future research and innovation in energy storage applications.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 7","pages":"5863 - 5875"},"PeriodicalIF":4.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144869083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydrothermal Synthesis of SmCoO3/rGO Composite as an Excellent Electrocatalyst for Oxygen Evolution Reaction","authors":"Taghrid S. Alomar,&nbsp;Najla AlMasoud,&nbsp;Muhammad Abdullah,&nbsp;Tehreem Zahra,&nbsp;Amal A. Al-wallan,&nbsp;Hafiz Muhammad Tahir,&nbsp;Zeinhom M. El-Bahy","doi":"10.1007/s10904-024-03525-2","DOIUrl":"10.1007/s10904-024-03525-2","url":null,"abstract":"<div><p>Water-splitting research utilizing electrocatalysts that demonstrate outstanding electrochemical performance and environmental compatibility can lead to development of a substantial hydrogen energy source. In this research, an SmCoO₃/rGO composite has been fabricated by facile hydrothermal approach and examined employing physical and electrochemical tests for electrocatalytic water splitting via OER. The methodologies, like SEM, BET and XRD test, were applied to characterize produced SmCoO₃/rGO. The composite demonstrates remarkable characteristics such as long-lasting stability of up to 35 h, minimal onset potential, significant ECSA of 287.5 cm², remarkably small value of Overpotential (209 mV), smaller resistance of 0.91 Ω and relatively moderate Tafel value (36 mV/dec) at 10 mA/cm² in 1.0 M KOH media. An electrocatalytic assessment reveals that combination of SmCoO₃ nanomaterials and rGO has synergistic effect, leading to reduction in overpotential value. The remarkable electrochemical properties of above-designed composite make it an extremely suitable electrocatalyst for OER and various energy conversion applications.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 6","pages":"4334 - 4347"},"PeriodicalIF":4.9,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145166240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reduced Graphene Oxide (rGO) Doped Copper–Zinc (Cu–Zn) Nanocomposite Ferrites as an Efficient Material for High-Performance Thermoelectric Applications","authors":"B. N. Ramakrishna,&nbsp;Syed Khasim,&nbsp;B. S. Prathibha,&nbsp;S. O. Manjunatha,&nbsp;G. P. Prema Kumar,&nbsp;Apsar Pasha,&nbsp;N. Dhananjaya","doi":"10.1007/s10904-025-03679-7","DOIUrl":"10.1007/s10904-025-03679-7","url":null,"abstract":"<div><p>Herein, we propose the synthesis of reduced graphene oxide (rGO) (0, 1.5, 2.5 and 3.5 wt%) doped Copper-Zinc (Cu-Zn) ferrite composites via simple solution combustion technique. The synergetic effects of rGO doping into Cu-Zn ferrite composites were examined through different analytical and spectroscopic characterization techniques such as scanning electron microscopy (SEM), powder X-ray diffraction (XRD) analysis, Fourier transform infra-red spectroscopy (FTIR), ultra-violet visible spectroscopy (UV-vis) and thermo gravimetric analysis (TGA). The average grain size of rGO doping into Cu-Zn ferrite composites was found to be 30 nm by SEM analysis, whereas the average crystallite size was found to be 35 nm. The energy band gap for Cu-Zn (3.5 wt%) composite was found to be 4.04 eV. The doping of rGO into the Cu-Zn ferrite enhances the electrical conductivity of ferrite from 19.74 S/m to 39.20 S/m due to improved charge carriers in the ferrite composite. The dielectric properties of the synthesized ferrite samples were significantly improved upon doping of rGO into the host Cu-Zn ferrite. The larger Seebeck coefficient and an improved electrical conductivity significantly affects the figure of merit (ZT) in doped ferrites composite. The ZT values for rGO doped Cu-Zn (3.5 wt%) composite was found to be 1.428 at 500 K. The rGO doped Cu-Zn (3.5 wt%) ferrite composite exhibit an enhanced thermo power factor from 27.56 µW/mK² to 492.91 µW/mK² which is approximately 18 times larger than that of pure Cu-Zn ferrite sample. Owing to improved electrical conductivity, dielectric properties, enhanced Seebeck coefficient and higher ZT of rGO doped Cu-Zn (3.5 wt%) ferrite composite emerges as potential material for the fabrication and development of electronic and thermoelectric devices which could be operated at room temperature.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6561 - 6580"},"PeriodicalIF":4.9,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Strain Engineering for Enhanced Photovoltaic Performance of Lead-Free Cs2AgBiI6 Double Perovskite: Insights from Density Functional Theory","authors":"El bouanounou Mohamed,&nbsp;Assila Abdelmajid,&nbsp;El macouti nour el haq,&nbsp;Laasri Said,&nbsp;Hlil El-kebir,&nbsp;Boughaleb Yahia,&nbsp;Hajjaji Abdelowahed","doi":"10.1007/s10904-025-03698-4","DOIUrl":"10.1007/s10904-025-03698-4","url":null,"abstract":"<div><p>This study investigates the photovoltaic potential of the lead-free double perovskite Cs₂AgBiI₆ using Density Functional Theory (DFT) with the GGA-PBE functional. We provide a comprehensive analysis of the material’s structural, electronic, optical, and photovoltaic properties. The results demonstrate that Cs₂AgBiI₆, with its stable cubic Fm3m structure, exhibits promising characteristics for solar cell applications, including a suitable band gap and strong light absorption in the visible spectrum. To further enhance the material’s performance, we explored the impact of triaxial strain ranging from − 6% to + 6%. The application of tensile strain led to significant improvements in key photovoltaic parameters. Specifically, the short-circuit current density (Jsc) increased by 6% under + 4% strain, reaching 29.39 mA/cm², while the power output (P) improved by 30% at + 5% strain, achieving 29.23 mW/cm². These enhancements highlight the potential of strain engineering as a strategy to optimize the optoelectronic properties of Cs₂AgBiI₆ for efficient solar energy conversion.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6803 - 6831"},"PeriodicalIF":4.9,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical Prediction of the Physical Properties of Novel Fluoro-Perovskites ({textrm{InXF}}_{3}hbox {(X = Sn, Pb)}) for Advanced Optoelectronic and Thermoelectric Applications Using DFT Calculations","authors":"Soukaina Bouhmaidi,&nbsp;Muhammad Ahmed,&nbsp;Abdelouahid Azouaoui,&nbsp;A. Afaq,&nbsp;Larbi Setti","doi":"10.1007/s10904-025-03680-0","DOIUrl":"10.1007/s10904-025-03680-0","url":null,"abstract":"<div><p>The need for environmental friendly and sustainable energy sources is increasing day by day. This study highlights the structural, mechanical, optoelectronic and thermoelectric properties of cubic perovskites <span>({textrm{InXF}}_{3}hbox {(X = Sn, Pb)})</span> using Density functional theory based ab initio calculations. We used Generalized Gradient Approximation of Perdew-Burke-Ernzerhof functional to obtain the optimized structural features of these compounds. The lattice constant of <span>({textrm{InSnF}}_{3})</span> and <span>({textrm{InPbF}}_{3})</span> is 4.73 Å  and 4.85 Å,  respectively. The stability of these compounds is verified from Born-Huang stability criteria. The elastic constants are used to extract bulk modulus, young’s modulus, shear modulus, Poisson’s ratio, Pugh’s ratio and other important mechanical parameters. For electronic properties calculations, we employed the correction of <span>( textrm{r}^2 )</span>SCAN functional in addition to PBE-GGA technique. The band gap of <span>({textrm{InSnF}}_{3})</span> and <span>({textrm{InPbF}}_{3})</span> with PBE-GGA ( <span>( textrm{r}^2 )</span>SCAN ) is 0.62 ( 0.95 ) and 1.71 ( 3.77 ) eV, respectively. The optical parameters like dielectric function, reflection and absorption are presented for the potential applications of these materials in optoelectronic industry. The thermoelectric analysis showed that the electrical conductivity and figure of merit increases with temperature and highlights the significance of these compounds for thermoelectric applications.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6581 - 6593"},"PeriodicalIF":4.9,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MOF/Chitosan Composites: An Emerging Class of Multifunctional Materials for Diverse Applications","authors":"Karzan A. Abdalkarim,&nbsp;Diary I. Tofiq,&nbsp;Rebaz F. Hamarawf,&nbsp;Hanar Q. Hassan,&nbsp;Barham S. Ahmad,&nbsp;Dana S. Muhammad,&nbsp;Shujahadeen B. Aziz","doi":"10.1007/s10904-024-03572-9","DOIUrl":"10.1007/s10904-024-03572-9","url":null,"abstract":"<div><p>This article provides a comprehensive review of recent advancements and applications of metal–organic framework (MOF)/chitosan (CS) composites, a novel class of materials that synergize the benefits of both MOFs and CS-MOFs, known for their porous coordination polymer structures, exhibit tunable properties, while CS, a natural polysaccharide, offers abundant functional groups and biocompatibility. For the first time, this review classifies research articles based on the metal cores of the MOFs, including Cu, Co, Fe, Zr, Zn, Ce, Al, Ti, Ag, and various bimetallic combinations. The article meticulously summarizes the synthesis methods and conditions for MOFs and MOF/Polymer composites, detailing the types and ratios of metal salts and organic linkers, as well as the composites of CS with different metal cores of the MOFs. Furthermore, the review discusses the nature and strength of interactions between MOFs and CS, along with their stability. It also explores the diverse applications of MOF/CS composites in areas such as gas storage and separation, catalysis, sensing, drug delivery, and energy conversion and storage. The article highlights the challenges and opportunities associated with MOF/CS composites, emphasizing the need to enhance their stability, scalability, and functionality. It concludes that MOF/CS composites hold significant promise for addressing contemporary challenges in energy, environmental, and biomedical fields.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 6","pages":"4189 - 4241"},"PeriodicalIF":4.9,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145165634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of Processing Conditions for the Synthesis of Famatinite Nanoparticles Using an Intricate Solvothermal Technique in Binary Solvent Systems for Photovoltaic Applications","authors":"I. Prakash,&nbsp;G. Steeve Shiny,&nbsp;G. Genifer Silvena,&nbsp;S. Dinakaran,&nbsp;A. Leo Rajesh","doi":"10.1007/s10904-025-03687-7","DOIUrl":"10.1007/s10904-025-03687-7","url":null,"abstract":"<div><p>Famatinite (Cu₃SbS₄) is a copper antimony sulphide semiconductor with tetragonal crystal structure known for its potential in photovoltaic applications. An extensive investigation was undertaken to optimise the processing conditions of famatinite nanoparticles via a precisely controlled solvothermal process. The synthesis employed an ethylene glycol-distilled water binary solvent system, with Polyvinylpyrrolidone (PVP) as a capping agent. Reaction temperatures were varied from 180 °C to 210 °C in 10 °C steps to study their influence on phase formation and morphology. X-ray diffraction analysis revealed that nanoparticles synthesized at 180 °C exhibited a pure famatinite phase, while higher temperatures led to the formation of mixed phases. The crystallite sizes were found to be from 32 to 36 nm. Raman spectra confirmed a characteristic peak at 314 cm⁻¹ for the pure famatinite phase. FESEM images show that phase-pure famatinite nanoparticles primarily exhibit a uniform spherical structure. The average hydrodynamic particle size was determined to be 121 nm using Dynamic Light Scattering (DLS) measurements. Optical analysis demonstrated a strong absorption in the visible and near-infrared regions, with a direct bandgap of 1.02 eV. Electrochemical impedance spectroscopy revealed that phase-pure famatinite nanoparticles exhibited a lower charge transfer resistance and a total resistance of 28.87 kΩ, highlighting their favourable charge transport properties. The optimised synthesis conditions at 180 °C yielded phase-pure famatinite nanoparticles with promising properties for photovoltaic applications as an absorber material.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6676 - 6687"},"PeriodicalIF":4.9,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-Principles Study of Electronic Structure, Optical and Thermoelectric Properties of Quaternary Chalcogenides","authors":"Abid Raza,&nbsp;Banat Gul,&nbsp;Muhammad Salman Khan,&nbsp;Ahmad A. Ifseisi,&nbsp;Siti Maisarah Aziz,&nbsp;Xiaoliang Zhang,&nbsp;Saleh Muhammad","doi":"10.1007/s10904-025-03664-0","DOIUrl":"10.1007/s10904-025-03664-0","url":null,"abstract":"<div><p>Quaternary compounds’ remarkable optical and electrical qualities have sparked a lot of attention, especially considering their possible use in solar energy conversion. This paper concentrated on photon interaction and the electronic transition nature in KA₂CuS₄ (A = Y, Nd) semiconductors. A greater cohesive energy in KNd₂CuS₄ results from Nd’s greater lattice stability as a lanthanide which has a larger atomic radius and stronger f-electron interaction than Y. The results from the band profile analysis confirm that these compounds have a direct band gap nature. Based on the density of states, the d orbitals of copper add up to the valence because of its relatively lower energy levels and contribution to bond formation and anti-bonding states. For possible use in optoelectronic applications, linear optical characteristics including complex dielectric function components, absorbance coefficients, energy loss functions, real light-dependent conductive properties, reflective properties, index (RI), and extinction coefficient were calculated and discussed. These compounds were suitable for thermoelectric applications, as shown by remarkable thermoelectric features. It is anticipated that the results will significantly influence the development of effective integrated electronic devices that are light-dependent and their useful applications.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6386 - 6398"},"PeriodicalIF":4.9,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-Efficiency Lead-Free KSnI3/CsSnI3 Dual-Absorber Solar Cells: A Numerical Modelling Approach","authors":"Mukaddar Sk,&nbsp;M. T. Islam,&nbsp;Safiya Saifi,&nbsp; Ibrar","doi":"10.1007/s10904-025-03697-5","DOIUrl":"10.1007/s10904-025-03697-5","url":null,"abstract":"<div><p>Halide perovskites have emerged as leading contenders for next-generation photovoltaic (PV) technology, offering exceptional optical properties, high efficiency, lightweight design, and cost-effectiveness. This study unveils a cutting-edge numerical approach to enhance efficiency in a novel dual-absorber perovskite solar cell (PSC), harnessing eco-friendly inorganic perovskite materials and precise parameter optimization. Initially, we performed comprehensive first-principles calculations of KSnI₃ and CsSnI₃, revealing their unique direct band gap characteristics of 1.82 eV and 1.26 eV, respectively. Both materials exhibit exceptional absorption coefficients exceeding 10⁵ cm^-1 beyond their band gaps, alongside minimal lattice mismatch, making them prime candidates for next-generation high-performance dual-absorber solar cells. In our proposed PSC architecture, KSnI₃ acts as the upper absorber layer, while CsSnI₃ serves as the lower absorber, complemented by ZnMgO as the electron transport layer (ETL) and NiO_x as the hole transport layer (HTL). By utilizing double-graded KSnI₃/CsSnI₃ materials, our study achieves an impressive efficiency of 30.01%, with an open circuit voltage of 1.11 V, fill factor of 78.1%, and short circuit current of 37.76 mA/cm². The simulation comprehensively examines the influence of absorber and transport layer thickness, as well as bulk and interface defect densities, on the device’s performance parameters. Additionally, it evaluates the effects of series and shunt resistances and investigates temperature variations to assess performance stability. These insights pave the way for the design and development of next-generation, high-efficiency dual-absorber solar cells.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 8","pages":"6785 - 6802"},"PeriodicalIF":4.9,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145021630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}