International Journal of Mechanical and Materials Engineering最新文献

{"title":"Investigation of growth mechanism for non-precious Co nanostructures as highly efficient electrocatalysts for hydrogen and oxygen evolution reaction","authors":"Bharat Kumar","doi":"10.1186/s40712-026-00433-w","DOIUrl":"10.1186/s40712-026-00433-w","url":null,"abstract":"<div><p>Cobalt nanoparticles with controlled morphology were synthesized via a tunable heating-rate approach and evaluated for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) electrocatalysis. Cyclic voltammetry studies revealed that the nanoparticles remain electrochemically stable up to –1.5 V, with well-defined cathodic and anodic redox peaks corresponding to the Co2⁺/Co redox couple. Among the synthesized samples, those prepared at the lowest heating rate (5 °C h⁻1) exhibited superior catalytic activity, achieving a maximum current of 4.31 mA and a current density of 215 mA cm⁻2 at –1.5 V. The onset potentials for HER were –0.798, –0.808, and –0.814 V versus Ag/AgCl for heating rates of 5, 25, and 250 °C h⁻1, respectively, with corresponding overpotentials at 10 mA cm⁻2 of –0.870, –0.902, and –0.942 V. These results surpass the performance of bulk cobalt and are comparable with reported cobalt-based electrocatalysts. Long-term electrochemical stability was demonstrated over 250 continuous cycles without significant loss of activity. Post-electrolysis structural characterization confirmed that the nanoparticles retained their crystalline monophasic structure and predominantly spherical morphology, with minor surface oxidation observed. The enhanced HER performance is attributed to the higher specific surface area and favorable nanoparticle alignment achieved at lower heating rates, highlighting the critical role of synthesis parameters in tuning electrochemical activity. Overall, this study demonstrates that rationally engineered cobalt nanostructures offer a promising, cost-effective route for high-performance HER and OER electrocatalysis, providing valuable insights for the development of sustainable water-splitting technologies.</p><h3>Graphical Abstract</h3><p>Synthesis of Co metal nanoparticles of different size having excellent electrocatalytic property with high stability</p><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00433-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147738315","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Low-temperature thermal activation of diabase tailings-based geopolymers: orthogonal design and structural mechanisms","authors":"Lingling Zhang,&nbsp;Yanan Hu,&nbsp;Xinchun Yang,&nbsp;Wenwei Fan,&nbsp;Xiaotao Liu,&nbsp;Yong Yao","doi":"10.1186/s40712-026-00439-4","DOIUrl":"10.1186/s40712-026-00439-4","url":null,"abstract":"<div>\u0000 \u0000 <p>Diabase tailings–based geopolymers (DTG) were investigated through stepwise low-temperature activation at 100 °C, 200 °C, and 300 °C to assess their potential as sustainable, high toughness binders. However, the intrinsically low reactivity of diabase tailings, combined with the high energy demand required for conventional thermal activation, has posed a major barrier to their efficient large-scale utilization in geopolymer systems. A three-factor, four-level orthogonal design was implemented to systematically evaluate the effects of activation temperature, alkali modulus (Ms = 1.0, 1.2, 1.4, and 1.6), and Si/Al molar ratio (2.6, 2.8, 3.0, and 3.2) on the mechanical performance and structural evolution of DTG. XRD, FTIR, and SEM analyses revealed a progressive transformation sequence involving dehydration, hydroxyl exposure, gradual dehydroxylation, and partial amorphization, which collectively enhanced the availability of reactive Si and Al species. Statistical analysis (ANOVA) indicated that activation temperature, alkali modulus, and Si/Al ratio contributed 56.2%, 33.6%, and 10.2% to strength development, respectively. The optimal combination—300 °C, Ms = 1.2, and Si/Al = 2.6—produced 7-day compressive and flexural strengths of 42.9 MPa and 12.8 MPa, with a flexural-to-compressive ratio of 0.30, reflecting enhanced toughness and a well bonded gel framework. These findings demonstrate that controlled stepwise activation below 300 °C significantly improves the reactivity of diabase tailings while minimizing energy demand, providing a practical strategy for fabricating high toughness, low-carbon geopolymer binders for sustainable construction.</p>\u0000 </div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00439-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147737985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The effect of base concentration on titanium dioxide nanotubes properties synthesized by hydrothermal method","authors":"Thembisile Khumalo,&nbsp;Athule Ngqalakwezi,&nbsp;Ntakadzeni Madima,&nbsp;Gary Pattrick,&nbsp;Mpfunzeni Raphulu","doi":"10.1186/s40712-026-00438-5","DOIUrl":"10.1186/s40712-026-00438-5","url":null,"abstract":"<div>\u0000 \u0000 <p>The transformation of titania to its nanomaterial form has gained significant interest due to its superior properties that are viable for many applications. Herein, Titanium dioxide nanotubes (TNT) were synthesized using a hydrothermal method from Degussa P25 precursor. Sodium hydroxide base concentration was varied from 5.00 M to 12.50 M at 1.25 M increments to study its effect on titanium dioxide nanotubes properties. The morphology, crystalline phase and surface area was analyzed using TEM, SEM, XRD, Raman spectroscopy and BET. TNTs electrocatalytic activity was tested using a potentiostat. The 5.00 M base concentration results showed particle growth with insufficient transition to nanotubes morphology. TEM images show P25 transformation to well-defined nanotubes from 6.25 M to 10.00 M base concentrations. The BET results indicate that as the base concentration increased, the surface area of the TNT improved from 56.10 m²g⁻¹ to an optimum 317.57 m²g⁻¹ for 8.75 M TNT material. XRD and Raman results indicate that lower base concentrations (5.00 M to 7.50 M) do not affect the crystallinity of a nanomaterial. However, high base concentrations from 8.75 M show a gradual disappearance of catalytically active anatase phase at 2Ɵ degrees above 63.0°. TNT’s test as an anode material for potassium-ion battery application shows an irreversible reaction. That could be due to sluggish kinetics, poor conductivity, and passivation layer development. This study shows that TNTs with enhanced properties and well-defined nanotubes are attainable at lower base concentrations (6.25, 7.50 &amp; 8.75 M) than the conventional 10.00 M using the one-step dynamic hydrothermal method.</p>\u0000 </div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00438-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147559994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Zn intercalation in carbon nanodots by electroplating process: a path towards Zinc-Enhanced Carbon Nanodots (CNDs)","authors":"Nur Aini Fauziyah,&nbsp;Ima Putriana,&nbsp;Fauziyah Vida Rahmah Wijaya,&nbsp;Primasari Cahya Wardhani,&nbsp;Nenni Mona Aruan,&nbsp;Deril Ristiani,&nbsp;Teuku Andi Fadly","doi":"10.1186/s40712-026-00440-x","DOIUrl":"10.1186/s40712-026-00440-x","url":null,"abstract":"<div><p>This study investigates the intercalation of Zn²⁺ ions into Carbon Nanodots (CNDs) synthesized from Oil Palm Empty Fruit Bunches (OPEFB) using an electroplating process. The OPEFB-derived CNDs were produced through microwave-assisted carbonization and doped with Zn at varying voltages (3V, 6V, and 9V). Structural and optical characterizations (e.g., X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), and Ultraviolet-Visible (UV-Vis)) confirmed successful Zn incorporation, indicated by a shift in the amorphous peak and a redshift in UV-Vis absorption. Zn intercalation enhanced electron delocalization, reduced band gap energy, and improved optical performance, suggesting potential applications of Zn-enhanced CNDs in optoelectronic and sensing devices.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00440-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147737668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Profitability analysis of developed briquette suitable for energy generation from residue of cattle feed sorghum stalk and groundnut husk","authors":"Godif Alene Geberehiet,&nbsp;Asmelash Gebrekidan Mekonen,&nbsp;Gebrehiwot Kunom Hagos,&nbsp;Tesfay Negassi Gebresilasie,&nbsp;Etay Hailu Hshe","doi":"10.1186/s40712-026-00427-8","DOIUrl":"10.1186/s40712-026-00427-8","url":null,"abstract":"<div>\u0000 \u0000 <p>The increasing demand for clean and affordable energy in developing countries highlights the need to utilize abundant agricultural residues through sustainable technologies. This study investigates the production, optimization, and economic feasibility of biomass briquettes developed from sorghum stalks and groundnut husks using cow dung as a natural binder. Response Surface Methodology (RSM) was applied to evaluate the effects of particle size, binder proportion, and feedstock mixing ratio on key fuel properties, including density, shatter index, and calorific value. The optimized composite briquette exhibited a calorific value of 24.36 MJ·kg⁻1, density of 1.202 g·cm⁻3, and shatter index of 96.19%, outperforming single-feedstock briquettes. Proximate analysis revealed low moisture (3.16%), low ash (3.63%), and high volatile matter (≈80%), while ultimate analysis indicated favorable elemental composition with 51.56% carbon, 6.30% hydrogen, and negligible nitrogen and sulfur, suggesting low emission potential. Economic evaluation demonstrated strong investment viability, with a positive Net Present Value (NPV), a payback period of 2.25 years, and profitable break-even capacity under typical local market conditions. Overall, the findings confirm that sorghum stalk and groundnut husk residues can be efficiently converted into high-quality briquettes with promising economic returns, offering a sustainable alternative to traditional biomass fuels and contributing to improved energy security and environmental conservation in Ethiopia.</p>\u0000 </div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00427-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147441830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of fuel type on the structural and optical properties of Dy3⁺ activated Ba₂MgSi₂O₇ phosphors","authors":"Dipti Shukla","doi":"10.1186/s40712-026-00425-w","DOIUrl":"10.1186/s40712-026-00425-w","url":null,"abstract":"<div><p>This paper presents a comparative study of dysprosium-doped di-barium magnesium disilicate (Ba₂MgSi₂O₇: Dy³⁺) phosphors. We synthesized these materials using a combustion method, employing two distinct fuels as reducing and stabilizing agents: aloe vera (a biofuel) and urea (an organic fuel). Our investigation involved a comprehensive characterization of these phosphors. We used Powder X-ray Diffraction (PXRD) to confirm the formation of monoclinic phases in both aloe vera and urea-prepared Ba2​MgSi2​O7​: Dy³⁺ nanoparticles (NPs). Scanning Electron Microscopy (SEM) provided insights into their morphology, while Fourier Transform Infrared (FTIR) spectroscopy helped analyze their chemical bonds. Crucially, we examined their luminescence properties. The thermoluminescence (TL) and photoluminescence (PL) behavior were studied after exposure to gamma rays. Our findings indicate that aloe vera proved to be the more effective \"green\" fuel, yielding higher quality Ba₂MgSi₂O₇: Dy³⁺ ​ NPs. Optical absorption studies revealed that the bandgap of these Ba₂MgSi₂O₇: Dy³⁺ NPs is significantly influenced by the synthesis method and the type of fuel used. Interestingly, the highest bandgap of 4.40 eV was observed for NPs fabricated with urea, while the lowest, 4.20 eV, was found for those prepared with aloe vera. Further Photoluminescence (PL) and Electron Spin Resonance (ESR) analyses confirmed the presence of Schottky and Frenkel surface defects, along with self-trapped excitons and oxygen vacancies, within these Ba₂MgSi₂O₇: Dy³⁺ NPs. The TL glow curves of Ba₂MgSi₂O₇: Dy³⁺ phosphors (with 1–4 mol% doping) showed distinct thermally activated trap centers depending on the fuel. Urea-based phosphors exhibited a TL glow curve with two peaks at 368.29 K and 563.93 K, whereas samples prepared with aloe vera gel displayed more intense peaks at a higher temperature of 375.35 K and 572.16 K. This suggests that aloe vera-derived phosphors possess enhanced trap depths and greater TL sensitivity. Finally, the phosphors demonstrated low fading behavior, a critical characteristic that confirms their promising suitability for various dosimetric applications.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00425-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147441831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigate the tensile strength and wear characteristics of industrial waste cenosphere reinforced with Al7075 alloy using the taguchi method","authors":"D V Ravi Kumar,&nbsp;T. Anilkumar,&nbsp;C R Prakash Rao,&nbsp;M V Praveen Kumar,&nbsp;A. Shivaramakrishna,&nbsp;B J Amith,&nbsp;K A Jayasheel Kumar,&nbsp;M A Karthik,&nbsp;Nanditha S Matad,&nbsp;Aymen Adem","doi":"10.1186/s40712-026-00445-6","DOIUrl":"10.1186/s40712-026-00445-6","url":null,"abstract":"<div>\u0000 \u0000 <p>Metal matrix composites (MMCs) find wide application owing to their superior physical and mechanical properties compared with monolithic metals. Aluminium and cenosphere are combined to produce a lightweight, strong component. The liquid metallurgical technique was used to produce five compositions of Al7075 grade aluminium-cenosphere composites. The study investigates the tribological and mechanical properties of an aluminium matrix composite reinforced with cenosphere. The SEM microphotographs show that the matrix material has filled the shattered spherical portion, thereby improving the composite’s interfacial strength. The main aim of this study is to determine how cenosphere concentration affects the mechanical, microstructural, and wear characteristics of an aluminium matrix composite reinforced with cenosphere. Tensile and sliding wear test specimens are typically prepared in accordance with ASTM E8 and ASTM G99, respectively. The experiments demonstrated that adding cenosphere to grade 7075 aluminium alloy improved the composite’s density, hardness, tensile strength, and wear resistance. The experimental results showed that the specimen diameter contributed 53.11%, the heat treatment duration contributed 26.17%, the type of specimen contributed 5.31%, and the percentage of cenosphere contributed 4.29%. In a similar vein, during the wear test, the specimen diameter contributed 69.94%, the heat treatment duration contributed 16.54%, the type of specimen contributed 5.31%, and the percentage of cenosphere contributed 4.29%. After a thorough investigation, A₂B₂C₂D₂ and A₁B₃C₃D₂, respectively, have been shown to be the most promising combinations for the tensile test and the wear test.</p>\u0000 </div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00445-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147559171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and mechanical characterization of epoxy bio-composites reinforced with Kigelia Africana (sausage) fruit fibers for biomedical applications","authors":"Babu E. R.,&nbsp;Ali B. M. Ali,&nbsp;Chandrashekar A.,&nbsp;Raghavendra Subramanya,&nbsp;Abdul Razak,&nbsp;Aseel Smerat,&nbsp;Yohanis Dabesa Jelila,&nbsp;Abdul Amir H. Kadhum","doi":"10.1186/s40712-026-00434-9","DOIUrl":"10.1186/s40712-026-00434-9","url":null,"abstract":"<div>\u0000 \u0000 <p>In recent days natural fibres are gaining lot of interest for the development of polymer composites as an alternative to conventional fibres such as carbon, glass, aramid, due to their low cost, relatively good mechanical characteristics, high specific strength, nonabrasive, eco-friendly, and biodegradability. In the present work, treated <i>Kigellia Africana</i> (sausage) fruit fibres are reinforced with epoxy resin, composites were fabricated and characterized for their structural, mechanical, wear, vibration characteristics. Mineral salts, dirt, inorganic residues, leftover fruit pulp, and waxy materials were all eliminated using hydrochloric acid (HCl) treatment. Following the bleaching of the treated material, its properties were assessed and characterized. After the alkali treatment and bleaching, a substantial level of lignin and hemicellulose were removed, resulting in a highly cellulosic fibre with improved characteristics. Results showed that the HCl-treated fiber composites with cenosphere demonstrated their viability for load-bearing applications with tensile strengths of 32.24 MPa (96% improvement) and flexural strengths of 50.28 MPa (39.8% increase). The structure and uniform distribution Kigelia africana fibers were responsible for a maximum hardness of 34 RHN (57% greater), whereas RSM analysis showed minimal wear at 25 N load, 3000 m sliding distance, and 0.5 m/s velocity.</p>\u0000 </div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00434-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147737520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A review of novel metal oxide nanomaterials sensing mechanisms and synthesis techniques for gas sensing applications","authors":"Lemma Tirfie Zegbreal,&nbsp;Newayemedhin A. Tegegne,&nbsp;Fekadu Gashaw Hone","doi":"10.1186/s40712-026-00419-8","DOIUrl":"10.1186/s40712-026-00419-8","url":null,"abstract":"<div>\u0000 \u0000 <p>This work provides an overview of metal oxide nanomaterials in gas sensing, focusing on their synthesis methods and sensing mechanisms. Due to their large surface area and catalytic activity, these nanomaterials are highly effective for gas detection. The review details the physical, chemical, optical, and electronic properties of cutting-edge gas-sensing metal oxide nanomaterials. It assesses their key performance metrics, including sensitivity, selectivity, reversibility, operating temperature, detection limit, response time, and recovery time. The analysis also explores challenges and future prospects, emphasizing the importance of factors like morphology control, doping, surface modification, and atomic-level characterization. the review provides valuable insights into the current state and future potential of metal oxide nanomaterial gas sensors, revealing both their limitations and opportunities for advancement in various applications.</p>\u0000 </div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00419-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147737519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning–guided SCAPS-1D design of lead-free CH₃NH₃SnI₃ perovskite solar cells with 40.17% simulated PCE","authors":"Md. Arifur Rahman,&nbsp;Mohammad Jahangir Alam","doi":"10.1186/s40712-026-00426-9","DOIUrl":"10.1186/s40712-026-00426-9","url":null,"abstract":"<div>\u0000 \u0000 <p>We integrate large-scale SCAPS-1D simulation with machine learning (ML) to co-optimize hole-transport layers (HTLs) and absorber engineering in lead-free perovskite solar cells. Screening HTL material/thickness/doping/defects in tandem with absorber selection and thickness across 35,585 device configurations, we identify CH₃NH₃SnI₃ as the preferred absorber and an optimal architecture FTO/WS₂/CH₃NH₃SnI₃/V₂O₅/Pt. Device-level factors (metal work function, series/shunt resistance, interface trap density, and spectrum) were varied to quantify contributions to power-conversion PCE (PCE). Five ML regressors were trained to predict PCE from device descriptors; a tuned Random Forest achieved R² = 0.96 (MSE = 0.210) on a held-out test set, enabling rapid exploration of the design space. The best configuration reaches a theoretical/simulated PCE of 40.17% under idealized SCAPS-1D conditions, attributed to a low-doping absorber regime and reduced interfacial recombination; capacitance–voltage analysis corroborates improved charge extraction/accumulation. Sensitivity analyses (series/shunt and interface traps) clarify the assumptions under which this performance is attainable. Beyond a single optimum, the model yields actionable design rules for lead-free PSCs, providing a reproducible, data-driven pathway toward high PCE while highlighting the need for interface passivation and experimental validation.</p>\u0000 </div>","PeriodicalId":592,"journal":{"name":"International Journal of Mechanical and Materials Engineering","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s40712-026-00426-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147737499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}