Pub Date : 2025-06-23DOI: 10.1016/j.scriptamat.2025.116828
Qianqian Song , Bozhao Zhang , Kaihui Xun , Evan Ma , Jun Ding
The chemical short-range order (CSRO) in multi-principal element alloys (MPEAs) critically influences their microstructural and various properties. Conventional density functional theory (DFT)-based Monte Carlo (MC) simulations, though accurate, are computationally expensive and limited to small-scale systems. This study introduces a novel local-lattice-distortion (LLD)-based MC framework as a computationally efficient alternative for predicting CSRO. By replacing energy-based acceptance criteria with LLD reduction as the metric for atomic swaps, our method achieves computational speeds over two orders of magnitude faster than DFT-based methods while maintaining accuracy. Validated on six representative face-centered cubic and body-centered cubic MPEAs, the framework reveals a strong correlation between LLD and CSRO. Its scalability enables applications in large-scale simulations and high-throughput studies, providing actionable insights into the LLD-CSRO relationship. This methodology offers a transformative tool for advancing the design and optimization of MPEAs with tailored properties.
{"title":"Accelerated prediction of chemical short-range order via lattice distortion in multi-principal element alloys","authors":"Qianqian Song , Bozhao Zhang , Kaihui Xun , Evan Ma , Jun Ding","doi":"10.1016/j.scriptamat.2025.116828","DOIUrl":"10.1016/j.scriptamat.2025.116828","url":null,"abstract":"<div><div>The chemical short-range order (CSRO) in multi-principal element alloys (MPEAs) critically influences their microstructural and various properties. Conventional density functional theory (DFT)-based Monte Carlo (MC) simulations, though accurate, are computationally expensive and limited to small-scale systems. This study introduces a novel local-lattice-distortion (LLD)-based MC framework as a computationally efficient alternative for predicting CSRO. By replacing energy-based acceptance criteria with LLD reduction as the metric for atomic swaps, our method achieves computational speeds over two orders of magnitude faster than DFT-based methods while maintaining accuracy. Validated on six representative face-centered cubic and body-centered cubic MPEAs, the framework reveals a strong correlation between LLD and CSRO. Its scalability enables applications in large-scale simulations and high-throughput studies, providing actionable insights into the LLD-CSRO relationship. This methodology offers a transformative tool for advancing the design and optimization of MPEAs with tailored properties.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116828"},"PeriodicalIF":5.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-06-23DOI: 10.1016/j.mseb.2025.118504
J. Islah , N. El Hidaoui , F. Goumrhar , R. Ahl Laamara , H. Ez-Zahraouy
We employ density functional theory (DFT) combined with Monte Carlo simulations to investigate the structural, electronic, magnetic, and mechanical properties of lead-free halide perovskites CsBCl (B = Ti, V, Cr). Our findings reveal that CsTiCl and CsCrCl exhibit half-metallic ferromagnetism with wide spin-down band gaps and 100% spin polarization, making them promising candidates for spintronic applications. In contrast, CsVCl stabilizes in an antiferromagnetic semiconducting ground state with a band gap of 3.03 eV (GGA+U), indicating potential for optoelectronic use. By mapping exchange interactions from first-principles onto a classical Heisenberg model and performing Monte Carlo simulations, we estimate Curie temperatures of approximately 200 K and 240 K for CsTiCl and CsCrCl, respectively, confirming their finite-temperature magnetic stability. Among them, CsCrCl exhibits the strongest magnetic exchange, highest , and notable mechanical resilience (bulk modulus = 34.51 GPa, Pugh’s ratio = 1.76), underscoring its suitability for moderate-temperature spintronic applications. Phonon dispersion analyses confirm the dynamical stability of all three compounds in their cubic phase.
{"title":"First-principles discovery of half-metallicity in lead-free CsBCl3(B = Ti, V, Cr) halide perovskites for spintronic and spin-dependent applications","authors":"J. Islah , N. El Hidaoui , F. Goumrhar , R. Ahl Laamara , H. Ez-Zahraouy","doi":"10.1016/j.mseb.2025.118504","DOIUrl":"10.1016/j.mseb.2025.118504","url":null,"abstract":"<div><div>We employ density functional theory (DFT) combined with Monte Carlo simulations to investigate the structural, electronic, magnetic, and mechanical properties of lead-free halide perovskites CsBCl<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> (B = Ti, V, Cr). Our findings reveal that CsTiCl<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> and CsCrCl<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> exhibit half-metallic ferromagnetism with wide spin-down band gaps and 100% spin polarization, making them promising candidates for spintronic applications. In contrast, CsVCl<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> stabilizes in an antiferromagnetic semiconducting ground state with a band gap of 3.03 eV (GGA+U), indicating potential for optoelectronic use. By mapping exchange interactions from first-principles onto a classical Heisenberg model and performing Monte Carlo simulations, we estimate Curie temperatures of approximately 200 K and 240 K for CsTiCl<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> and CsCrCl<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, respectively, confirming their finite-temperature magnetic stability. Among them, CsCrCl<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> exhibits the strongest magnetic exchange, highest <span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>C</mi></mrow></msub></math></span>, and notable mechanical resilience (bulk modulus = 34.51 GPa, Pugh’s ratio = 1.76), underscoring its suitability for moderate-temperature spintronic applications. Phonon dispersion analyses confirm the dynamical stability of all three compounds in their cubic phase.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"321 ","pages":"Article 118504"},"PeriodicalIF":3.9,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-06-23DOI: 10.1016/j.ssi.2025.116941
Daigo Ito, Daisuke Urushihara, Yusuke Daiko
By sharpening ion-conductive glass and applying a high voltage, conducting species ions are released from the glass tip. The ion emission of Ag+ ions under atmospheric pressure was investigated. Under atmospheric pressure, there is a possibility that various ions are produced as a result of corona discharge. To analyze the efficiency of Ag+ ion emission from the tip of sharpening glass, a quartz crystal microbalance was used to simultaneously measure the mass of the emitted ions and the ion current value. In an air atmosphere at room temperature, the efficiency of Ag+ ion emission was only ∼20 %. The efficiency tended to decrease further in an oxygen atmosphere. On the other hand, the emission efficiency reaches approximately 100 % in N2 atmosphere. The efficiency of Ag+ ion emission under atmospheric pressure with various conditions are discussed in this paper.
{"title":"Ion emission efficiency of Ag+ ions from silver ion-conducting glass under atmospheric pressure","authors":"Daigo Ito, Daisuke Urushihara, Yusuke Daiko","doi":"10.1016/j.ssi.2025.116941","DOIUrl":"10.1016/j.ssi.2025.116941","url":null,"abstract":"<div><div>By sharpening ion-conductive glass and applying a high voltage, conducting species ions are released from the glass tip. The ion emission of Ag<sup>+</sup> ions under atmospheric pressure was investigated. Under atmospheric pressure, there is a possibility that various ions are produced as a result of corona discharge. To analyze the efficiency of Ag<sup>+</sup> ion emission from the tip of sharpening glass, a quartz crystal microbalance was used to simultaneously measure the mass of the emitted ions and the ion current value. In an air atmosphere at room temperature, the efficiency of Ag<sup>+</sup> ion emission was only ∼20 %. The efficiency tended to decrease further in an oxygen atmosphere. On the other hand, the emission efficiency reaches approximately 100 % in N<sub>2</sub> atmosphere. The efficiency of Ag<sup>+</sup> ion emission under atmospheric pressure with various conditions are discussed in this paper.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"428 ","pages":"Article 116941"},"PeriodicalIF":3.0,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-06-23DOI: 10.1016/j.intermet.2025.108891
Xianman Zhang , Ren Fu , Baichuan Liu , Zicheng Ling
The synthesis of MAB phases and their solid solutions, which were candidates of precursor to prepare the MBenes with promising in energy storage and electrocatalytic applications, were generally complex. Compared with wide growth of whiskers on the MAX phases, the A-site element whiskers growth on the MAB phases were rare. Cr-Al-B MAB phase within the periodic layered structure (PLS) coating could be formed during hot-dip aluminizing (HDA) and subsequent thermal diffusion treatment (TDT) of Fe-Cr-B cast steel. Herein, the interfacial microstructures of the HDA of Fe-Cr-B cast steel in Al alloy melts containing Bi, In and Sn and subsequent TDT, especially the growth of whiskers on the whitened Cr-Al-B MAB phases, were systematically studied. The results demonstrated that, In and its combinations with Bi could partially replace the Al atoms in the Cr-Al-B MAB phase, resulting the both effects that the whitening of the Cr-Al-B MAB phases within the PLS and the spontaneous growth of whiskers with different compositions on them. However, the growth of Bi whisker could be neglected, compared with wide growth of various In whiskers. The shape of γ-In(Sn) rapid spontaneous growth in the vacuum chamber of SEM was complex and was not the prism structure of Sn whisker growth under the vacuum condition, which was related to the compositions of whiskers. This study would further enrich the theory of whisker growth on the MAB/MAX phases.
{"title":"Growth of various in whiskers on Cr-Al-B MAB phases formed during hot-dip aluminizing and subsequent thermal diffusion treatment of Fe-Cr-B cast steel","authors":"Xianman Zhang , Ren Fu , Baichuan Liu , Zicheng Ling","doi":"10.1016/j.intermet.2025.108891","DOIUrl":"10.1016/j.intermet.2025.108891","url":null,"abstract":"<div><div>The synthesis of MAB phases and their solid solutions, which were candidates of precursor to prepare the MBenes with promising in energy storage and electrocatalytic applications, were generally complex. Compared with wide growth of whiskers on the MAX phases, the A-site element whiskers growth on the MAB phases were rare. Cr-Al-B MAB phase within the periodic layered structure (PLS) coating could be formed during hot-dip aluminizing (HDA) and subsequent thermal diffusion treatment (TDT) of Fe-Cr-B cast steel. Herein, the interfacial microstructures of the HDA of Fe-Cr-B cast steel in Al alloy melts containing Bi, In and Sn and subsequent TDT, especially the growth of whiskers on the whitened Cr-Al-B MAB phases, were systematically studied. The results demonstrated that, In and its combinations with Bi could partially replace the Al atoms in the Cr-Al-B MAB phase, resulting the both effects that the whitening of the Cr-Al-B MAB phases within the PLS and the spontaneous growth of whiskers with different compositions on them. However, the growth of Bi whisker could be neglected, compared with wide growth of various In whiskers. The shape of γ-In(Sn) rapid spontaneous growth in the vacuum chamber of SEM was complex and was not the prism structure of Sn whisker growth under the vacuum condition, which was related to the compositions of whiskers. This study would further enrich the theory of whisker growth on the MAB/MAX phases.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"185 ","pages":"Article 108891"},"PeriodicalIF":4.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338731","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The interconnection of solar cells with electrically conductive adhesives (ECAs) is a promising lead-free, low-temperature, low-stress interconnection technology, with proven reliability in ageing tests. However, ECAs contain large fractions of silver particles, contributing to a high consumption of silver in the photovoltaic industry. At the same time, most of the ECAs used are commercial products with poorly known composition, and appropriate methods to characterise their fillers are lacking.
In this work, we investigated the link between ECAs’ resistivity and the content and morphology of their fillers. Chemical dosages and observations of cured ECAs with electronic microscopy were supplemented with the development of a new method allowing to wash away the resin of ECAs and observe the particles themselves. This last method allows simultaneously a precise determination of the particles’ morphology and an overall reliable estimation of ECAs’ silver content, which is not possible with other reported means.
We showed that some ECAs can contain silver particles with tortuous shapes, while others contain optimised particles with flaky or core–shell morphologies, often under the form of a mix of particles with various sizes and shapes. Resistivities down to (8.18 ± 4.91) × 10-5 Ω cm were measured for ECAs containing more than 50 wt% silver. Conductive behaviours can be obtained along with reduced silver contents as low as (25.6 ± 1.3) wt% when optimised fillers are used to make ECAs.
{"title":"Reduction of silver content in Electrically Conductive Adhesives for low-temperature interconnection of solar cells","authors":"Nathalie Ronayette , Olivier Poncelet , Sonia Sousa Nobre , Sandrine Barthélémy , Daniel Bellet , Rémi Monna","doi":"10.1016/j.solmat.2025.113762","DOIUrl":"10.1016/j.solmat.2025.113762","url":null,"abstract":"<div><div>The interconnection of solar cells with electrically conductive adhesives (ECAs) is a promising lead-free, low-temperature, low-stress interconnection technology, with proven reliability in ageing tests. However, ECAs contain large fractions of silver particles, contributing to a high consumption of silver in the photovoltaic industry. At the same time, most of the ECAs used are commercial products with poorly known composition, and appropriate methods to characterise their fillers are lacking.</div><div>In this work, we investigated the link between ECAs’ resistivity and the content and morphology of their fillers. Chemical dosages and observations of cured ECAs with electronic microscopy were supplemented with the development of a new method allowing to wash away the resin of ECAs and observe the particles themselves. This last method allows simultaneously a precise determination of the particles’ morphology and an overall reliable estimation of ECAs’ silver content, which is not possible with other reported means.</div><div>We showed that some ECAs can contain silver particles with tortuous shapes, while others contain optimised particles with flaky or core–shell morphologies, often under the form of a mix of particles with various sizes and shapes. Resistivities down to (8.18 ± 4.91) × 10<sup>-5</sup> <!-->Ω<!--> <!-->cm were measured for ECAs containing more than 50<!--> <!-->wt% silver. Conductive behaviours can be obtained along with reduced silver contents as low as (25.6 ± 1.3)<!--> <!-->wt% when optimised fillers are used to make ECAs.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"292 ","pages":"Article 113762"},"PeriodicalIF":6.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This manuscript explores a novel perovskite solar cell (PSC) design incorporating bandgap grading within the absorber layer, utilizing FASnI3 as the absorber material, to enhance efficiency and approach the Shockley-Queisser (SQ) limit. A systematic investigation of bandgap grading in the perovskite absorber, including linear and parabolic schemes, was conducted to assess their impact on performance. The initial co-optimization of absorber thickness and defect density (Nt) to 210 nm and 1 × 1013 cm−3, resulted in a power conversion efficiency (PCE) of 14.10 %. Incorporating stoichiometric variation to achieve a broader bandgap grading range of 1.4–2.4 eV further enhanced the PCE to 15.75 %. Optimization of the absorber's acceptor doping concentration (NA) to 3 × 1016 cm−3 yielded a PCE of 16.05 %, while fine-tuning the top-to-bottom composition ratio to 0.5/1 improved the PCE to 17.90 %. The adoption of parabolic grading, characterized by a bowing parameter (β) of 0.25 and a minimal value (MV) of 0.78, achieved a peak PCE of 19.20 %, with an open-circuit voltage (VOC) of 0.78 V, short-circuit current density (JSC) of 30.48 mA cm−2, and fill factor (FF) of 81.23 %. This work introduces an innovative approach to bandgap grading in perovskite absorbers and highlights its potential to unlock high-efficiency photovoltaic performance for next-generation PSCs.
{"title":"Advanced bandgap grading techniques for high-efficiency FA-based tin perovskite solar cells","authors":"Rajesh Kumar Sharma , Hitarth Narsi Patel , Dhruv Singh Thakur , Vivek Garg , Shivendra Yadav","doi":"10.1016/j.solmat.2025.113791","DOIUrl":"10.1016/j.solmat.2025.113791","url":null,"abstract":"<div><div>This manuscript explores a novel perovskite solar cell (PSC) design incorporating bandgap grading within the absorber layer, utilizing FASnI<sub>3</sub> as the absorber material, to enhance efficiency and approach the Shockley-Queisser (SQ) limit. A systematic investigation of bandgap grading in the perovskite absorber, including linear and parabolic schemes, was conducted to assess their impact on performance. The initial co-optimization of absorber thickness and defect density (<em>N</em><sub>t</sub>) to 210 nm and 1 × 10<sup>13</sup> cm<sup>−3</sup>, resulted in a power conversion efficiency (PCE) of 14.10 %. Incorporating stoichiometric variation to achieve a broader bandgap grading range of 1.4–2.4 eV further enhanced the PCE to 15.75 %. Optimization of the absorber's acceptor doping concentration (<em>N</em><sub>A</sub>) to 3 × 10<sup>16</sup> cm<sup>−3</sup> yielded a PCE of 16.05 %, while fine-tuning the top-to-bottom composition ratio to 0.5/1 improved the PCE to 17.90 %. The adoption of parabolic grading, characterized by a bowing parameter (β) of 0.25 and a minimal value (MV) of 0.78, achieved a peak PCE of 19.20 %, with an open-circuit voltage (<em>V</em><sub>OC</sub>) of 0.78 V, short-circuit current density (<em>J</em><sub>SC</sub>) of 30.48 mA cm<sup>−2</sup>, and fill factor (FF) of 81.23 %. This work introduces an innovative approach to bandgap grading in perovskite absorbers and highlights its potential to unlock high-efficiency photovoltaic performance for next-generation PSCs.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"292 ","pages":"Article 113791"},"PeriodicalIF":6.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-06-23DOI: 10.1016/j.porgcoat.2025.109476
Hua Zhang , Yuchen Xie , Ping Wang , Zhengqiang Lv , Dongmei Hu , Yan Zhang
PBO (p-phenylene benzobisoxazole) fibers demonstrate considerable potential for application in various engineering fields. Nevertheless, their surface, which is excessively smooth, significantly impedes their properties. In this paper, PBO single-fiber reinforced composites were prepared by coating and modifying PBO fibers after oxygen plasma treatment using different concentrations of carbon nanotube-modified epoxy resin (EP/CNTs). The results show that the O/C ratio of the PBO fibers increases and structures such as epoxy/bisphenol are introduced after coating the surface of the PBO fibers with resin. The interfacial shear strength (IFSS) increases with the concentration of the coated EP/CNTs, up to 65.34 MPa. The dynamic mechanical properties of the PBO fibers increase after the coating modification treatments, and the highest tensile strength achieves 8.8 GPa at a strain rate of 1100 s−1. This work provides a feasible and efficient strategy to modify the surface of PBO fibers, achieving a better combination between resin and component fibers.
{"title":"Interfacial effects of carbon nanotube-modified epoxy on PBO Fiber composites: Quasi-static and dynamic mechanical properties","authors":"Hua Zhang , Yuchen Xie , Ping Wang , Zhengqiang Lv , Dongmei Hu , Yan Zhang","doi":"10.1016/j.porgcoat.2025.109476","DOIUrl":"10.1016/j.porgcoat.2025.109476","url":null,"abstract":"<div><div>PBO (<em>p</em>-phenylene benzobisoxazole) fibers demonstrate considerable potential for application in various engineering fields. Nevertheless, their surface, which is excessively smooth, significantly impedes their properties. In this paper, PBO single-fiber reinforced composites were prepared by coating and modifying PBO fibers after oxygen plasma treatment using different concentrations of carbon nanotube-modified epoxy resin (EP/CNTs). The results show that the O/C ratio of the PBO fibers increases and structures such as epoxy/bisphenol are introduced after coating the surface of the PBO fibers with resin. The interfacial shear strength (IFSS) increases with the concentration of the coated EP/CNTs, up to 65.34 MPa. The dynamic mechanical properties of the PBO fibers increase after the coating modification treatments, and the highest tensile strength achieves 8.8 GPa at a strain rate of 1100 s<sup>−1</sup>. This work provides a feasible and efficient strategy to modify the surface of PBO fibers, achieving a better combination between resin and component fibers.</div></div>","PeriodicalId":20834,"journal":{"name":"Progress in Organic Coatings","volume":"208 ","pages":"Article 109476"},"PeriodicalIF":6.5,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The increasing demand for efficient and sustainable energy solutions has intensified interest in solar technologies, yet conventional photovoltaic (PV) systems often suffer from reduced efficiency under high solar irradiance due to thermal stress. Hybrid photovoltaic-thermal (PVT) systems offer a viable alternative by simultaneously harnessing electrical and thermal energy, but comprehensive real-world performance comparisons are limited. This study aims to experimentally compare PV and PVT systems under identical climatic conditions to evaluate total energy output, thermal stability, and operational efficiency. A dedicated experimental setup incorporating Perovskite modules, pyranometers, thermometers, and a gravity-fed cooling system was used to measure performance across 6 h daily. The PVT system reached a peak thermal efficiency of 43.37 %, with a maximum thermal power output of 315.6 W and a total thermal energy yield of 1415.7 Wh. Electrical efficiency for the PVT system remained above 8.6 % during midday, whereas the standalone PV system recorded a minimum efficiency of 6.85 % under the same conditions. The Random Forest model reached a classification accuracy of 97 % in predicting efficiency categories using irradiance and temperature data. The study demonstrated a 291.6 % increase in thermal energy output compared to electrical output in PVT systems. These results show the performance and stability advantages of PVT systems, especially in hot environments. The integration of data-driven predictive tools and advanced insulation materials is recommended for future optimization, making PVT systems a compelling solution for next-generation solar infrastructure.
{"title":"Enhancing solar energy efficiency through comparative analysis of photovoltaic and hybrid photovoltaic-thermal systems","authors":"Prasanna Moorthy Venugopal , Kamali Samudram Manickam , Arunkumar Munimathan , Ratchagaraja Dhairiyasamy","doi":"10.1016/j.solmat.2025.113806","DOIUrl":"10.1016/j.solmat.2025.113806","url":null,"abstract":"<div><div>The increasing demand for efficient and sustainable energy solutions has intensified interest in solar technologies, yet conventional photovoltaic (PV) systems often suffer from reduced efficiency under high solar irradiance due to thermal stress. Hybrid photovoltaic-thermal (PVT) systems offer a viable alternative by simultaneously harnessing electrical and thermal energy, but comprehensive real-world performance comparisons are limited. This study aims to experimentally compare PV and PVT systems under identical climatic conditions to evaluate total energy output, thermal stability, and operational efficiency. A dedicated experimental setup incorporating Perovskite modules, pyranometers, thermometers, and a gravity-fed cooling system was used to measure performance across 6 h daily. The PVT system reached a peak thermal efficiency of 43.37 %, with a maximum thermal power output of 315.6 W and a total thermal energy yield of 1415.7 Wh. Electrical efficiency for the PVT system remained above 8.6 % during midday, whereas the standalone PV system recorded a minimum efficiency of 6.85 % under the same conditions. The Random Forest model reached a classification accuracy of 97 % in predicting efficiency categories using irradiance and temperature data. The study demonstrated a 291.6 % increase in thermal energy output compared to electrical output in PVT systems. These results show the performance and stability advantages of PVT systems, especially in hot environments. The integration of data-driven predictive tools and advanced insulation materials is recommended for future optimization, making PVT systems a compelling solution for next-generation solar infrastructure.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"292 ","pages":"Article 113806"},"PeriodicalIF":6.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The flotation behavior of a new amphoteric collector α- di-n-hexylamino-dodecanoic acid (α-DHDA), at low temperature and without activators and depressants, was investigated through the flotation behavior of individual minerals and synthetic mixed ore. In the individual mineral flotation test, when the pulp pH value of 5, a temperature of 10 °C, and a collector concentration of 141 mg/L, the flotation difference between spodumene and albite was 75.27 %, and the flotation disparity between quartz and spodumene was 74.44 %. In the ternary synthetic mixed ore test, when the pulp pH value of 5, a temperature of 10 °C, and a collector concentration of 165 mg/L, spodumene concentrate with Li2O grade of 5.43 % and recovery of 76.98 % was achieved. The flotation outcomes indicated that the collector α-DHDA performed well in selectivity, collecting ability, and temperature adaptability. The selective adsorption mechanism of α-DHDA was revealed through techniques such as contact angle, adsorption capacity, zeta potential, FT-IR, XPS, and ToF-SIMS surface analysis. The findings revealed that α-DHDA could chemically bind to the surfaces of spodumene, albite, and quartz, but due to the differing numbers and activity of active site on the mineral surface, α-DHDA formed stable monolayer chemisorption on the spodumene surface (mainly through the Al site and secondarily through the Si site), which significantly enhancing its hydrophobicity. On the surfaces of albite and quartz, disordered multilayer reverse adsorption easily formed, making it difficult to effectively improve surface hydrophobicity, so as to achieve the effective separation of spodumene from gangue minerals.
{"title":"Flotation behavior and mechanism of a new amphoteric collector on the flotation separation of spodumene from albite and quartz under low temperature","authors":"Huiwen Ren, Ruiqi Xie, Siyang Li, Xian Xie, Xiong Tong, Xun Wang, Sheng Jian, Yuan Xiong","doi":"10.1016/j.apsusc.2025.163884","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163884","url":null,"abstract":"The flotation behavior of a new amphoteric collector α- di-n-hexylamino-dodecanoic acid (α-DHDA), at low temperature and without activators and depressants, was investigated through the flotation behavior of individual minerals and synthetic mixed ore. In the individual mineral flotation test, when the pulp pH value of 5, a temperature of 10 °C, and a collector concentration of 141 mg/L, the flotation difference between spodumene and albite was 75.27 %, and the flotation disparity between quartz and spodumene was 74.44 %. In the ternary synthetic mixed ore test, when the pulp pH value of 5, a temperature of 10 °C, and a collector concentration of 165 mg/L, spodumene concentrate with Li<ce:inf loc=\"post\">2</ce:inf>O grade of 5.43 % and recovery of 76.98 % was achieved. The flotation outcomes indicated that the collector α-DHDA performed well in selectivity, collecting ability, and temperature adaptability. The selective adsorption mechanism of α-DHDA was revealed through techniques such as contact angle, adsorption capacity, zeta potential, FT-IR, XPS, and ToF-SIMS surface analysis. The findings revealed that α-DHDA could chemically bind to the surfaces of spodumene, albite, and quartz, but due to the differing numbers and activity of active site on the mineral surface, α-DHDA formed stable monolayer chemisorption on the spodumene surface (mainly through the Al site and secondarily through the Si site), which significantly enhancing its hydrophobicity. On the surfaces of albite and quartz, disordered multilayer reverse adsorption easily formed, making it difficult to effectively improve surface hydrophobicity, so as to achieve the effective separation of spodumene from gangue minerals.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"9 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144337571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-06-22DOI: 10.1016/j.electacta.2025.146748
Dilek Vatansever, Murside Haciismailoglu
Polypyrrole (PPy) was electropolymerized on disposable pencil graphite (G), and then Ni-oxide (NiO) was electrodeposited on G/PPy varying the charge density from 14 to 562 mC/cm2. The molecular structure was studied by Fourier transform infrared spectroscopy. The morphology was investigated by scanning electron microscopy and the composition was determined by energy-dispersive X-ray spectrometry. The capacitive behavior was examined by cyclic voltammetry (CV) and galvanostatic charge-discharge technique (GCD). The specific capacitance was calculated as 570.4 F/g for the G/PPy-NiO electrode having NiO with a charge density of 14 mC/cm2. As the charge density increases the specific capacitance decreases. Supercapacitors were fabricated using these G/PPy-NiO electrodes, and PVA-H2SO4 and PVA-H3PO4 gel electrolytes. The capacitive behavior was analyzed using CV and GCD. The calculated specific capacitance is 403.4 F/g for the PPy-NiO-14//PVA-H2SO4//PPy-NiO-14 and 44.4 F/g for PPy-NiO-14//PVA-H3PO4//PPy-NiO-14 supercapacitors. The devices were aged by keeping them at room conditions, and the measurements were repeated every 15 days until the 45th day. The cyclic stability was determined after 1000 cycles by CV measured on the 0th and 45th day. The capacitance retention and hence the shelf life were determined. PPy-NiO-14//PVA-H2SO4//PPy-NiO-14 supercapacitor has capacitance retention (c.t.) of 101% after 45 days while the PPy-NiO-14//PVA-H3PO4//PPy-NiO-14 has 75.5%.
{"title":"Calendar ageing without applying potential for polypyrrole/Ni-oxide supercapacitors","authors":"Dilek Vatansever, Murside Haciismailoglu","doi":"10.1016/j.electacta.2025.146748","DOIUrl":"https://doi.org/10.1016/j.electacta.2025.146748","url":null,"abstract":"Polypyrrole (PPy) was electropolymerized on disposable pencil graphite (G), and then Ni-oxide (NiO) was electrodeposited on G/PPy varying the charge density from 14 to 562 mC/cm<sup>2</sup>. The molecular structure was studied by Fourier transform infrared spectroscopy. The morphology was investigated by scanning electron microscopy and the composition was determined by energy-dispersive X-ray spectrometry. The capacitive behavior was examined by cyclic voltammetry (CV) and galvanostatic charge-discharge technique (GCD). The specific capacitance was calculated as 570.4 F/g for the G/PPy-NiO electrode having NiO with a charge density of 14 mC/cm<sup>2</sup>. As the charge density increases the specific capacitance decreases. Supercapacitors were fabricated using these G/PPy-NiO electrodes, and PVA-H<sub>2</sub>SO<sub>4</sub> and PVA-H<sub>3</sub>PO<sub>4</sub> gel electrolytes. The capacitive behavior was analyzed using CV and GCD. The calculated specific capacitance is 403.4 F/g for the PPy-NiO-14//PVA-H<sub>2</sub>SO<sub>4</sub>//PPy-NiO-14 and 44.4 F/g for PPy-NiO-14//PVA-H<sub>3</sub>PO<sub>4</sub>//PPy-NiO-14 supercapacitors. The devices were aged by keeping them at room conditions, and the measurements were repeated every 15 days until the 45<sup>th</sup> day. The cyclic stability was determined after 1000 cycles by CV measured on the 0<sup>th</sup> and 45<sup>th</sup> day. The capacitance retention and hence the shelf life were determined. PPy-NiO-14//PVA-H<sub>2</sub>SO<sub>4</sub>//PPy-NiO-14 supercapacitor has capacitance retention (c.t.) of 101% after 45 days while the PPy-NiO-14//PVA-H<sub>3</sub>PO<sub>4</sub>//PPy-NiO-14 has 75.5%.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"16 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2025-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144337587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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