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Electrodeposited endeavour: Concentration-tuned nickel oxide nanostructures for high-performance supercapacitors
Next Materials Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100531
Udayraj T. Pawar , Avinash C. Molane , Shivani S. Gavande , Kranti P. Patil , Ramesh N. Mulik , Kumar Krishnan , Vikas B. Patil
{"title":"Electrodeposited endeavour: Concentration-tuned nickel oxide nanostructures for high-performance supercapacitors","authors":"Udayraj T. Pawar ,&nbsp;Avinash C. Molane ,&nbsp;Shivani S. Gavande ,&nbsp;Kranti P. Patil ,&nbsp;Ramesh N. Mulik ,&nbsp;Kumar Krishnan ,&nbsp;Vikas B. Patil","doi":"10.1016/j.nxmate.2025.100531","DOIUrl":"10.1016/j.nxmate.2025.100531","url":null,"abstract":"<div><div>Herein we focused on synthesis of concentration modulated nickel oxide (NiO) nanosheets by simple and straightforward electrodeposition technique to investigate physicochemical properties and eventually electrochemical performance. Cubic and hydrophilic NiO nanosheets with optimum crystallite size, porosity and mixed Ni<sup>2+</sup>/ Ni<sup>3+</sup> states show pseudocapacitive nature with excellent performance. It is observed that, 956.22 F/g specific capacitance at 5 mV/s scan rate. The diffusion controlled reaction kinetics during charging and discharging process shows 25.04 Wh/kg and 3.41 kW/kg energy and power density respectively. The optimized sample exhibits lower values for series and charge transfer resistance due to the conducting channel developed through interconnected nanoparticles. Moreover, electrochemical performance of liquid state symmetric supercapacitor device is measured. The overall study reveals electrodeposited NiO nanostructures are an ideal candidate for energy storage applications.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100531"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430265","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}
引用次数: 0
Role of donor fluorination in voltage losses of organic solar cells
Next Materials Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100546
Yanxian Ma , Quanbin Liang , Hongbin Wu
{"title":"Role of donor fluorination in voltage losses of organic solar cells","authors":"Yanxian Ma ,&nbsp;Quanbin Liang ,&nbsp;Hongbin Wu","doi":"10.1016/j.nxmate.2025.100546","DOIUrl":"10.1016/j.nxmate.2025.100546","url":null,"abstract":"<div><div>Organic solar cells have exhibited high power conversion efficiency of up to 20 % with the rapid development of non-fullerene solar cells in recent years. However, further materials and device optimizations are still necessary due to the considerably large voltage losses compared to traditional inorganic counterparts such as Si or GaAs. In this study, we employed various characterization methods to present a systematic investigation based on fluorinated donors and nine different acceptors to determine the role of donor fluorination in the performance of organic solar cells, especially the voltage losses. We found that the devices with fluorinated PM6 as donor exhibit significantly lower voltage losses (including radiative and non-radiative) than the ones with non-fluorinate PBDB-T donor when paired with different typical non-fullerene and fullerene acceptors, which can be attributed to the reduced charge transfer state reorganization energies, lower Urbach energy, and enhanced radiative decay rate. In addition, the PM6-based devices exhibit generally larger deep trap energy than the PBDB-T ones, but it is not the determinant to the voltage losses. These results enable us to identify the key features for minimizing the voltage losses and suggest that molecular design strategies focusing on the reduction of reorganization energy along with Urbach energy and increase of radiative decay rate is crucial for further improving the performance of organic solar cells.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100546"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430262","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}
引用次数: 0
Conversion of carbohydrates into 5-hydroxymethylfurfural and valuable 2-amino-4H-pyran using functionalized carbonaceous material with strong Brønsted acid as an efficient catalyst
Next Materials Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100536
Khanh Ha Nguyen , Trinh Hao Nguyen , Ha Bich Phan , Hai Truong Nguyen , Phuong Hoang Tran
{"title":"Conversion of carbohydrates into 5-hydroxymethylfurfural and valuable 2-amino-4H-pyran using functionalized carbonaceous material with strong Brønsted acid as an efficient catalyst","authors":"Khanh Ha Nguyen ,&nbsp;Trinh Hao Nguyen ,&nbsp;Ha Bich Phan ,&nbsp;Hai Truong Nguyen ,&nbsp;Phuong Hoang Tran","doi":"10.1016/j.nxmate.2025.100536","DOIUrl":"10.1016/j.nxmate.2025.100536","url":null,"abstract":"<div><div>The conversion of biomass-derived 5-hydroxymethylfurfural (HMF) into valuable chemicals has attracted significant interest in the petroleum and chemical sectors. In this work, we explored the synthesis of amorphous carbon bearing Brönsted acid sites (AC-SO<sub>3</sub>H) as a catalyst for efficient HMF production from carbohydrates. We examined the effects of temperature, solvent, ratio of solvent, catalyst loading and reaction time on HMF yield. Optimal conditions include a temperature of 150 °C, 10 mg of AC-SO<sub>3</sub>H as a catalyst, fructose and DMSO/sulfolane (1/1) solvent, achieving approximately 87 % HMF efficiency within 2 h. The AC-SO<sub>3</sub>H catalyst exhibits high activity and stability in fructose-to-HMF conversion. The produced HMF is then utilized as a precursor for synthesizing valuable compounds. This research demonstrates the potential of AC-SO<sub>3</sub>H catalysts in HMF production and utilization.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100536"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430270","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}
引用次数: 0
Impact of pressure on structural, mechanical, optoelectronic and thermoelectric properties of vacancy-ordered double perovskite K2SeCl6: A first principles study
Next Materials Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100512
Salma Zahan , Dil Afroj , Mohammad Abdur Rashid
{"title":"Impact of pressure on structural, mechanical, optoelectronic and thermoelectric properties of vacancy-ordered double perovskite K2SeCl6: A first principles study","authors":"Salma Zahan ,&nbsp;Dil Afroj ,&nbsp;Mohammad Abdur Rashid","doi":"10.1016/j.nxmate.2025.100512","DOIUrl":"10.1016/j.nxmate.2025.100512","url":null,"abstract":"<div><div>The structural, mechanical, electronic, optical, and thermoelectric properties of vacancy-ordered double perovskite K<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>SeCl<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> are estimated through first-principle calculations under ambient conditions and hydrostatic pressures up to 80 GPa. The structural stability of the material is confirmed by a Goldsmith tolerance factor of 0.98 and a negative formation energy of −0.53 eV/atom. K<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>SeCl<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> is mechanically robust, possessing good stability, hardness, and stiffness. At ambient conditions, K<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>SeCl<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> exhibits p-type semiconducting behavior with an indirect band gap of 2.502 eV. Under 80 GPa, the band gap of the material reduces to the lower boundary of the visible region. Optical absorbance and conductivity increase with increase of hydrostatic pressure, enhancing its suitability for ultraviolet–visible optoelectronic applications as an absorption layer in photovoltaic cells under pressure. Additionally, its low lattice thermal conductivity and high thermoelectric figure of merit suggest its efficiency for renewable energy applications both at ambient and high-pressure conditions. This material shows promising multifunctionality for future optoelectronic and energy conversion technologies.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100512"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430268","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}
引用次数: 0
Transition metal dopants modulate the band gap and electronic structure of corrugated graphitic carbon nitride
Next Materials Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100550
Edgar Clyde R. Lopez
{"title":"Transition metal dopants modulate the band gap and electronic structure of corrugated graphitic carbon nitride","authors":"Edgar Clyde R. Lopez","doi":"10.1016/j.nxmate.2025.100550","DOIUrl":"10.1016/j.nxmate.2025.100550","url":null,"abstract":"<div><div>The rational selection of dopants for graphitic carbon nitride (GCN) is essential for tailoring its electronic properties, enabling advancements in photocatalysis, energy conversion, and electronics. Modifying the band gap, valence band edge (VBE), and conduction band edge (CBE) of GCN can enhance its light absorption capabilities, with narrower gaps improving visible light absorption and wider gaps increasing stability while lowering electron-hole recombination rates. Transition metals serve as effective dopants due to their distinct electronic configurations, allowing precise tuning of GCN's electronic structure. Early transition metals like titanium and vanadium reduce the band gap, enhancing conductivity for catalytic applications. Mid-transition metals such as iron and cobalt maintain structural integrity while optimizing electron mobility, ideal for stable catalytic systems. Late transition metals, including palladium and silver, provide highly conductive pathways with significant band gap reduction, suitable for high-performance catalysis and electronics. Strategic dopant selection, considering both functionality and sustainability, is vital for achieving high-performing, economically viable materials. Overall, the findings pave the way for tailored materials that address challenges in energy storage and environmental sustainability, highlighting the potential of doped GCN as a versatile candidate for innovative electronic and catalytic systems.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100550"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430269","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}
引用次数: 0
Photocatalytic properties of SrTiO₃ – Impact of (Co-)doping with Sc, Cr, Co, Ir and La
Next Materials Pub Date : 2025-02-17 DOI: 10.1016/j.nxmate.2025.100545
Azeem Ghulam Nabi , Maryam Hayat , Shahbaz Khan , Salman Nazir , Akhtar Hussain , Aman-ur-Rehman , Gregory A. Chass , Devis Di Tommaso
{"title":"Photocatalytic properties of SrTiO₃ – Impact of (Co-)doping with Sc, Cr, Co, Ir and La","authors":"Azeem Ghulam Nabi ,&nbsp;Maryam Hayat ,&nbsp;Shahbaz Khan ,&nbsp;Salman Nazir ,&nbsp;Akhtar Hussain ,&nbsp;Aman-ur-Rehman ,&nbsp;Gregory A. Chass ,&nbsp;Devis Di Tommaso","doi":"10.1016/j.nxmate.2025.100545","DOIUrl":"10.1016/j.nxmate.2025.100545","url":null,"abstract":"<div><div>The optical properties of doped SrTiO<sub>3</sub> are crucial for solar energy conversion due to their correlation with their efficacy to absorb and convert sunlight to energy. In this study, the impact of La, Co, Cr, Sc, and Ir substitutions on the structural, optical, electrical, and photocatalytic properties of SrTiO<sub>3</sub> were investigated by a series density functional theory (DFT) calculation. Analyses primarily initially focused on the effects of doping and co-doping with Lanthanum (La) followed by systematic investigations of the impact of transition metal (TM) doping with Scandium Chromium, Cobalt and Iridium (Sc, Cr, Co, Ir) an finally co-doping with La and the TM elements. Co-doping leads to a reduction in the bandgap energy and a shift in the bandgap region, making the material more suitable for photo-catalysis. Structures singly-substituted with La, Sc, Cr, Co, and Ir primarily absorbed light in the ultraviolet region, which limits their use in light-based devices. However, SrTiO₃ systems co-doped with La-Ir exhibited significant absorption in the visible region (∼400–750 nm). The co-doped SrTiO₃ maximizes solar light utilization, making it well-suited for applications such as solar cells. Our study sheds light into the optical properties of doped SrTiO₃, highlighting its potential for practical use in solar energy conversion.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100545"},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430263","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}
引用次数: 0
Visible light-driven GO/Ag-ZnO ternary composites for enhanced photocatalytic degradation of amoxicillin and their antibacterial potential
Next Materials Pub Date : 2025-02-17 DOI: 10.1016/j.nxmate.2025.100544
Van-Phu Vu , Nguyen Thi Le Na , Minh Thuy Luong , Nguyen Duc Toan , Ngoc Anh Tran Thi , Thi Thu Nguyen , Manh Ha Hoang , Long Duc Nguyen , Khanh Ly Dao , Thanh Binh Nguyen , Cong Doanh Sai
{"title":"Visible light-driven GO/Ag-ZnO ternary composites for enhanced photocatalytic degradation of amoxicillin and their antibacterial potential","authors":"Van-Phu Vu ,&nbsp;Nguyen Thi Le Na ,&nbsp;Minh Thuy Luong ,&nbsp;Nguyen Duc Toan ,&nbsp;Ngoc Anh Tran Thi ,&nbsp;Thi Thu Nguyen ,&nbsp;Manh Ha Hoang ,&nbsp;Long Duc Nguyen ,&nbsp;Khanh Ly Dao ,&nbsp;Thanh Binh Nguyen ,&nbsp;Cong Doanh Sai","doi":"10.1016/j.nxmate.2025.100544","DOIUrl":"10.1016/j.nxmate.2025.100544","url":null,"abstract":"<div><div>This study presents a simple process for fabricating a seri composite x%GO/Ag-ZnO (x: 0; 3; 5; 10; 15; 20) structure for applications in antibiotic degradation and antibacterial activity. The samples' morphology, structure, and optical properties are analyzed using scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-Vis absorption spectroscopy techniques. The antibiotic degradation ability of the fabricated samples is evaluated under visible light. The results show that the photocatalytic activity is influenced by the GO concentration in the samples. The best photocatalytic activity is observed in the 10 %GO/Ag-ZnO sample, achieving an antibiotic degradation efficiency of up to 85 % after 90 min of illumination. The fabricated sample demonstrates reusability for antibiotic degradation over five cycles, maintaining an efficiency of more than 78 %. Notably, the GO/Ag-ZnO sample exhibits superior antibacterial activity compared to the Ag-ZnO sample at the same concentration.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100544"},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430267","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}
引用次数: 0
Optimized mesalamine-loaded polyelectrolyte complex nanoparticles for targeted colon delivery in inflammatory bowel disease treatment: A central composite design approach
Next Materials Pub Date : 2025-02-17 DOI: 10.1016/j.nxmate.2025.100530
Iqra Fatima , Ahmad Khan , Abbas Rahdar , Sonia Fathi-karkan , Zelal Kharaba , Francesco Baino
{"title":"Optimized mesalamine-loaded polyelectrolyte complex nanoparticles for targeted colon delivery in inflammatory bowel disease treatment: A central composite design approach","authors":"Iqra Fatima ,&nbsp;Ahmad Khan ,&nbsp;Abbas Rahdar ,&nbsp;Sonia Fathi-karkan ,&nbsp;Zelal Kharaba ,&nbsp;Francesco Baino","doi":"10.1016/j.nxmate.2025.100530","DOIUrl":"10.1016/j.nxmate.2025.100530","url":null,"abstract":"<div><div>The objective of this study was to develop and optimize mesalamine-loaded polyelectrolyte complex (PEC) nanoparticles for the treatment of inflammatory bowel disease (IBD) using a central composite experimental design. Mesalamine, a pharmaceutical classified as a Biopharmaceutics Classification System (BCS) Class IV drug due to its poor solubility and permeability, short half-life (0.5–2 h), and challenges in patient compliance, was selected as the model drug for this study. PECs were synthesized by titrating sodium carboxymethyl cellulose (Na-CMC) and chitosan, with the experimental compositions determined using Design Expert® 7.0 software. Formulations were optimized by varying concentrations of chitosan and Na-CMC, considering particle size and encapsulation efficiency (EE%) as the response variables. The optimized PEC nanoparticles were subsequently coated with Eudragit S-100 (ES-100) to enable targeted delivery to the colon. The uncoated nanoparticles had a particle size of 234.9 ± 3.8 nm and a zeta potential of 27.90 ± 2.41 mV. After coating, these values were altered to 319.2 ± 4.1 nm and −13.45 ± 4.13 mV, indicating a shift to a slightly negative surface charge, which contributes to the stability and colon-targeting properties of the nanoparticles. Morphological analysis confirmed that the nanoparticles maintained a roughly spherical shape and that the polymer did not chemically interact with the encapsulated drug. The optimized formulation demonstrated an encapsulation efficiency of 62.26 ± 2.03 %. Drug release studies conducted in simulated gastric fluid (pH 1.2) and simulated intestinal fluid (pH 7.4) showed that uncoated nanoparticles released 91.2 ± 4.5 % of the drug over 48 h, while coated nanoparticles released 74.9 ± 2.9 %, as determined by ANOVA analysis. These findings suggest that the coating effectively extends mesalamine release over time, making this formulation a promising candidate for targeted IBD therapy.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100530"},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430266","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}
引用次数: 0
Dual-function magnetic reduced graphene oxide nanocomposite: Enhanced caffeine abatement via adsorption and photo-Fenton degradation
Next Materials Pub Date : 2025-02-17 DOI: 10.1016/j.nxmate.2025.100547
Florencia M. Onaga Medina , Marcos E. Peralta , Lorena Diblasi , Marcelo J. Avena , María E. Parolo
{"title":"Dual-function magnetic reduced graphene oxide nanocomposite: Enhanced caffeine abatement via adsorption and photo-Fenton degradation","authors":"Florencia M. Onaga Medina ,&nbsp;Marcos E. Peralta ,&nbsp;Lorena Diblasi ,&nbsp;Marcelo J. Avena ,&nbsp;María E. Parolo","doi":"10.1016/j.nxmate.2025.100547","DOIUrl":"10.1016/j.nxmate.2025.100547","url":null,"abstract":"<div><div>In this work, an easy method for the preparation of reduced graphene oxide-magnetite nanocomposite was developed via the reduction of graphene oxide by ferrous ions and in-situ synthesis of magnetite nanoparticles on graphene sheets. The resulting magnetic nanocomposite (rGO_m) was tested in the abatement of caffeine, serving as a model for emerging pollutants. The reduction of caffeine concentration was accomplished because of the dual-function of rGO_m both as adsorbent and photo-Fenton catalyst. At pH 3, rGO_m achieved a 99 % degradation of caffeine in 90 min and was able to be reused in 4 consecutive cycles remaining 80 % of degradation capacity. At mild acidic conditions, the combined effect of adsorption and photo-Fenton reaction allows rGO_m to reach an 85 % decrease of initial caffeine concentration in 2 h, under simulated solar light radiation. This abatement capacity is noteworthy for high initial caffeine concentration (30 mg L<sup>−1</sup>) and simulated solar light compared to similar nanocomposites tested under more favorable conditions, such us, low initial concentration and/or UV-light irradiation. Furthermore, rGO_m serving as adsorbent for caffeine attained a maximum uptake of 56.5 mg g<sup>−1</sup> at pH 5 and was able to be reused for 6 consecutive cycles without loss of adsorption capacity. Through its dual function this nanocomposite achieved enhanced adsorption and oxidative degradation of caffeine, making it a competitive option for removing emerging pollutants from wastewater under simulated solar light.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100547"},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430264","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}
引用次数: 0
Device optimization of CsPbI2Br-based inorganic perovskite solar cells using different charge transport layers via SCAPS-1D
Next Materials Pub Date : 2025-02-16 DOI: 10.1016/j.nxmate.2025.100532
Muhammad Siddique , Muhammad Sultan , M.Shahid Iqbal Khan , Syed Hamza Safeer
{"title":"Device optimization of CsPbI2Br-based inorganic perovskite solar cells using different charge transport layers via SCAPS-1D","authors":"Muhammad Siddique ,&nbsp;Muhammad Sultan ,&nbsp;M.Shahid Iqbal Khan ,&nbsp;Syed Hamza Safeer","doi":"10.1016/j.nxmate.2025.100532","DOIUrl":"10.1016/j.nxmate.2025.100532","url":null,"abstract":"<div><div>Perovskite solar cells (PSCs) have attracted considerable attention due to their high-power conversion efficiency (PCE) of more than 26 % in recent years. They can be produced at lowcost, and on flexible substrates. They have tunable bandgap making them suitable for a range of applications. However, the thermal instability of these devices is still a challenge for their commercialization. Recently, all-inorganic PSCs based on CsPbI<sub>2</sub>Br emerged as a new potential candidate for photovoltaic applications due to their long-term thermal stability. Solar Cell Capacitance Simulator (SCAPS-1D) software can be used to simulate and analyze the performance of perovskite solar cells. It can be used to study device modeling, solar cell parameter extraction, device optimization, and its comparison with experimental data. Here we have used SCAPS-1D to analyze the device parameters of inorganic perovskite solar cells (n-i-p configuration) with varying hole transport layers (HTLs) and electron transport layers (ETLs). Initially, different HTLs such as CuI, Cu<sub>2</sub>O, CuSCN, and MoO<sub>x</sub> are employed keeping ETL (TiO<sub>2</sub>) and the absorber layer (CsPbI<sub>2</sub>Br) fixed. The highest performance is obtained for devices containing CuSCN as HTL. Furthermore, device performance is further checked by varying the ETL such as ZnO, WS<sub>2</sub>, and SnO<sub>2</sub> keeping HTL (CuSCN) and absorber layer (CsPbI<sub>2</sub>Br) constant. The results showed that the device with configuration FTO/TiO<sub>2</sub>/CsPbI<sub>2</sub>Br/CuSCN/Fe shows better performance. In addition, for each device configuration, the effect of the charge transport layer’s thickness, the effect of absorber layer thickness, band gap, and defect density on the performance of the device has also been studied to obtain the best device performance. The thickness of the charge transport layers, and the absorber layer greatly affect the transport of photo-generated charges within the device. The highest power conversion efficiency (PCE) obtained for n-i-p configuration with TiO<sub>2</sub> (10 nm), CuSCN (30 nm) and absorber layer CsPbI<sub>2</sub>Br (520 nm) is 14.66 %.The corresponding fill factor (FF) for the given configuration is 76.57 %, with short circuit current density (J<sub>SC</sub>) of 16.4 mA/cm<sup>2</sup>, and open circuit voltage (V<sub>OC</sub>) of 1.16 V. We hope our findings will contribute to understanding the Perovskite solar cells (PSCs) structure with different hole transport layers, and ultimately lead to the development of more efficient, stable, and cost-effective perovskite solar cells for commercial applications.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100532"},"PeriodicalIF":0.0,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421056","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}
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