High-quality silver nanowires (Ag-NWs) with diameters below 200 nm were successfully deposited on glass substrates using a facile spray coating technique, forming transparent conductive electrodes (TCEs) for use in perovskite solar cells (PSCs). The impact of film thickness on the structural purity, surface morphology, optical behavior, and electrical transport properties of the Ag-NW films was thoroughly examined using advanced characterization techniques, including XRD, XPS, FE-SEM, FIB, AFM, UV-visible-NIR spectroscopy, Hall effect analysis, and four-probe resistance studies. The FE-SEM and FIB analyses revealed that the Ag-NWs possessed diameters ranging from 42 to 180 nm and lengths from 2.01 µm to 2.5 µm. Notably, the Ag-3 NW film demonstrated enhanced optical and electrical transport characteristics, achieving an exceptional figure of merit (45.02 × 10−4 Ω−1) and low sheet resistance (18.1 Ω □−1). The PSC devices incorporating the Ag-NW electrodes exhibited a remarkable efficiency of 11.6%, highlighting their potential for next-generation solar energy applications. Hence, the results obtained confirm the viability of Ag-NW thin films in advancing PSC technology.
{"title":"Facile chemical spray deposition of Ag-nanowire films: tailoring their structural, optical, and electrical properties for application as TCEs","authors":"Ranjith Kumar Poobalan and Ramarajan Ramanathan","doi":"10.1039/D5SE00995B","DOIUrl":"https://doi.org/10.1039/D5SE00995B","url":null,"abstract":"<p >High-quality silver nanowires (Ag-NWs) with diameters below 200 nm were successfully deposited on glass substrates using a facile spray coating technique, forming transparent conductive electrodes (TCEs) for use in perovskite solar cells (PSCs). The impact of film thickness on the structural purity, surface morphology, optical behavior, and electrical transport properties of the Ag-NW films was thoroughly examined using advanced characterization techniques, including XRD, XPS, FE-SEM, FIB, AFM, UV-visible-NIR spectroscopy, Hall effect analysis, and four-probe resistance studies. The FE-SEM and FIB analyses revealed that the Ag-NWs possessed diameters ranging from 42 to 180 nm and lengths from 2.01 µm to 2.5 µm. Notably, the Ag-3 NW film demonstrated enhanced optical and electrical transport characteristics, achieving an exceptional figure of merit (45.02 × 10<small><sup>−4</sup></small> Ω<small><sup>−1</sup></small>) and low sheet resistance (18.1 Ω □<small><sup>−1</sup></small>). The PSC devices incorporating the Ag-NW electrodes exhibited a remarkable efficiency of 11.6%, highlighting their potential for next-generation solar energy applications. Hence, the results obtained confirm the viability of Ag-NW thin films in advancing PSC technology.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 24","pages":" 6714-6735"},"PeriodicalIF":4.1,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145652221","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}
Yuta Egawa, Yuanyuan Jiang, Zhenhua Pan, Sheng Ye and Kenji Katayama
This study presents a detailed investigation into the photocatalytic properties of facet-engineered bismuth oxybromide (BiOBr) using the pattern illumination time-resolved phase microscopy (PI-PM) technique. BiOBr, recognized for its excellent visible-light photocatalytic capabilities, was synthesized with controlled facet exposure to enhance its reactivity and efficiency in degrading organic pollutants. The experimental focus was on assessing the facet-dependent behavior of photo-excited charge carriers within BiOBr under various scavenger conditions. The PI-PM method allowed for the direct imaging of dynamic charge carrier processes at the microscale, offering information on the active charge carrier types (electrons and holes) on the photocatalyst surface. Detailed analyses when exposed to scavengers revealed distinct behaviors across different facets (001, 010, and 102). Key findings include the identification of dominant charge carriers responsible for the enhanced photocatalytic activity of different facets. For instance, the (010) facet showed a pronounced reactivity of holes, whereas the (102) facet was predominantly active via electron-mediated processes. This facet-specific activity underlines the importance of surface properties in optimizing photocatalytic efficiency. Through the application of PI-PM, this research not only provides a deeper understanding of the mechanistic pathways in photocatalysis but also demonstrates the critical role of surface facets in determining the overall performance of BiOBr as a photocatalyst.
{"title":"Facet-dependent photocatalytic activities of BiOBr explored through pattern illumination time-resolved phase microscopy","authors":"Yuta Egawa, Yuanyuan Jiang, Zhenhua Pan, Sheng Ye and Kenji Katayama","doi":"10.1039/D5SE01070E","DOIUrl":"https://doi.org/10.1039/D5SE01070E","url":null,"abstract":"<p >This study presents a detailed investigation into the photocatalytic properties of facet-engineered bismuth oxybromide (BiOBr) using the pattern illumination time-resolved phase microscopy (PI-PM) technique. BiOBr, recognized for its excellent visible-light photocatalytic capabilities, was synthesized with controlled facet exposure to enhance its reactivity and efficiency in degrading organic pollutants. The experimental focus was on assessing the facet-dependent behavior of photo-excited charge carriers within BiOBr under various scavenger conditions. The PI-PM method allowed for the direct imaging of dynamic charge carrier processes at the microscale, offering information on the active charge carrier types (electrons and holes) on the photocatalyst surface. Detailed analyses when exposed to scavengers revealed distinct behaviors across different facets (001, 010, and 102). Key findings include the identification of dominant charge carriers responsible for the enhanced photocatalytic activity of different facets. For instance, the (010) facet showed a pronounced reactivity of holes, whereas the (102) facet was predominantly active <em>via</em> electron-mediated processes. This facet-specific activity underlines the importance of surface properties in optimizing photocatalytic efficiency. Through the application of PI-PM, this research not only provides a deeper understanding of the mechanistic pathways in photocatalysis but also demonstrates the critical role of surface facets in determining the overall performance of BiOBr as a photocatalyst.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 322-333"},"PeriodicalIF":4.1,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/se/d5se01070e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sudeshna Das Chakraborty, Samik Nag and Trilochan Mishra
H2 generation via water splitting and CO2 conversion to value-added chemicals are two key reactions that have immense importance for deep decarbonization. Being energy-intensive processes, water splitting and CO2 conversion are often carried out in the presence of catalysts. Electrocatalysis, photocatalysis and thermocatalysis are three major catalytic conversion pathways for such conversions. To boost the energy efficiency of the catalytic conversions, the role of an external magnetic field (as an external physical force) has been explained in detail in this review. Fundamentals of water splitting and CO2 conversion, the underlying mechanism in the presence of a magnetic field, and the role of different types of magnetic fields and their effect on the chemical conversion and energy efficiency of the mentioned processes have been elaborated in this article. In conclusion, the future scope to utilize the present magnetic field-based green process at a large scale has been discussed elaborately.
{"title":"Perspective of an external magnetic field-assisted catalytic process for green H2 generation and CO2 conversion","authors":"Sudeshna Das Chakraborty, Samik Nag and Trilochan Mishra","doi":"10.1039/D5SE01452B","DOIUrl":"https://doi.org/10.1039/D5SE01452B","url":null,"abstract":"<p >H<small><sub>2</sub></small> generation <em>via</em> water splitting and CO<small><sub>2</sub></small> conversion to value-added chemicals are two key reactions that have immense importance for deep decarbonization. Being energy-intensive processes, water splitting and CO<small><sub>2</sub></small> conversion are often carried out in the presence of catalysts. Electrocatalysis, photocatalysis and thermocatalysis are three major catalytic conversion pathways for such conversions. To boost the energy efficiency of the catalytic conversions, the role of an external magnetic field (as an external physical force) has been explained in detail in this review. Fundamentals of water splitting and CO<small><sub>2</sub></small> conversion, the underlying mechanism in the presence of a magnetic field, and the role of different types of magnetic fields and their effect on the chemical conversion and energy efficiency of the mentioned processes have been elaborated in this article. In conclusion, the future scope to utilize the present magnetic field-based green process at a large scale has been discussed elaborately.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 119-136"},"PeriodicalIF":4.1,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904397","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}
Sitong Qu, Yiwen Cao, Jieling Zhang, Peijie Ma, Zuozhong Liang and Rui Cao
The oxygen reduction reaction (ORR) is central to clean energy technologies such as metal–air batteries, but its sluggish kinetics typically rely on precious metal catalysts. Herein, a sulfur-functionalized cobalt–nitrogen–carbon catalyst (S@Co–N–C) was successfully synthesized via a thiourea-assisted pyrolysis strategy using a two-dimensional (2D) zeolitic imidazolate framework (ZIF) as the precursor. Experimental characterization revealed that S-doping effectively modulated electronic structures of Co–N4 sites, significantly enhancing the intrinsic ORR activity of the Co–N–C material. In 0.1 M KOH, S@Co–N–C exhibited a half-wave potential (E1/2) of 0.895 V (vs. RHE), surpassing that of commercial Pt/C (20 wt%; 0.870 V vs. RHE). Density functional theory (DFT) calculations confirmed that the introduction of S atoms optimized the d-band center of Co sites and reduced the *OH desorption energy barrier, thereby accelerating ORR kinetics. Furthermore, a Zn–air battery assembled with S@Co–N–C delivered a peak power density of 210 mW cm−2, outperforming the Pt/C + RuO2 benchmark (140 mW cm−2). S@Co–N–C also demonstrated superior stability for both the ORR and Zn–air battery compared to the control sample Co–N–C and commercial benchmark. This study provides new insights into the design of non-precious metal ORR catalysts with high stability and elucidates the critical role of S-doping in M–N–C materials.
氧还原反应(ORR)是金属-空气电池等清洁能源技术的核心,但其缓慢的动力学通常依赖于贵金属催化剂。本文以二维(2D)沸石咪唑酸框架(ZIF)为前驱体,通过硫脲辅助热解策略成功合成了硫功能化钴氮碳催化剂(S@Co -N-C)。实验表征表明,s掺杂有效地调制了Co-N4位的电子结构,显著提高了Co-N-C材料的本征ORR活性。在0.1 M KOH下,S@Co -N-C的半波电位(E1/2)为0.895 V(相对于RHE),超过了商用Pt/C的半波电位(20% wt%;相对于RHE为0.870 V)。密度泛函理论(DFT)计算证实,S原子的引入优化了Co位的d带中心,降低了*OH解吸能垒,从而加速了ORR动力学。此外,用S@Co -N-C组装的锌空气电池提供了210 mW cm - 2的峰值功率密度,优于Pt/C + RuO2基准(140 mW cm - 2)。与对照样品Co-N-C和商业基准相比,S@Co -N-C在ORR和锌空气电池中也表现出优越的稳定性。本研究为设计具有高稳定性的非贵金属ORR催化剂提供了新的见解,并阐明了s掺杂在M-N-C材料中的关键作用。
{"title":"Sulfur-doped cobalt–nitrogen–carbon materials for efficient oxygen electrocatalysis","authors":"Sitong Qu, Yiwen Cao, Jieling Zhang, Peijie Ma, Zuozhong Liang and Rui Cao","doi":"10.1039/D5SE01222H","DOIUrl":"https://doi.org/10.1039/D5SE01222H","url":null,"abstract":"<p >The oxygen reduction reaction (ORR) is central to clean energy technologies such as metal–air batteries, but its sluggish kinetics typically rely on precious metal catalysts. Herein, a sulfur-functionalized cobalt–nitrogen–carbon catalyst (S@Co–N–C) was successfully synthesized <em>via</em> a thiourea-assisted pyrolysis strategy using a two-dimensional (2D) zeolitic imidazolate framework (ZIF) as the precursor. Experimental characterization revealed that S-doping effectively modulated electronic structures of Co–N<small><sub>4</sub></small> sites, significantly enhancing the intrinsic ORR activity of the Co–N–C material. In 0.1 M KOH, S@Co–N–C exhibited a half-wave potential (<em>E</em><small><sub>1/2</sub></small>) of 0.895 V (<em>vs.</em> RHE), surpassing that of commercial Pt/C (20 wt%; 0.870 V <em>vs.</em> RHE). Density functional theory (DFT) calculations confirmed that the introduction of S atoms optimized the d-band center of Co sites and reduced the *OH desorption energy barrier, thereby accelerating ORR kinetics. Furthermore, a Zn–air battery assembled with S@Co–N–C delivered a peak power density of 210 mW cm<small><sup>−2</sup></small>, outperforming the Pt/C + RuO<small><sub>2</sub></small> benchmark (140 mW cm<small><sup>−2</sup></small>). S@Co–N–C also demonstrated superior stability for both the ORR and Zn–air battery compared to the control sample Co–N–C and commercial benchmark. This study provides new insights into the design of non-precious metal ORR catalysts with high stability and elucidates the critical role of S-doping in M–N–C materials.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 285-293"},"PeriodicalIF":4.1,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904391","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}
This study proposes a new approach for reducing CO2 emissions from industrial processes and contributing to sustainable environmental development. The primary focus is on post-processing emitted CO2 and constructing a coupled catalytic reaction system for CO2 conversion. This coupled reaction system consists of three reactors: the 1st reactor for the methanation of CO2, the 2nd reactor for the dry reforming of CH4 (DRM), and the 3rd reactor for solid carbon capture. The constructed system enabled the continuous production of synthesis gas (H2 + CO) even at a higher gas flow rate of 2 L min−1 while recovering >30% of the introduced CO2 as solid carbon. Furthermore, in this system, we have demonstrated that the quantity of H2 lower than the stoichiometric ratio of the methanation reaction (H2/CO2 = 4.0) is advantageous for system operation. Significantly improved DRM and carbon capture performance were achieved under these conditions. The obtained results indicate the potential of this system in the efficient treatment of CO2 from industrial emissions using a lower stoichiometric ratio of H2, which has significant implications for environmental conservation and energy reduction. Additionally, the thermodynamic evaluation indicated that reducing the amount of supplied H2 should have a beneficial impact on the exergy efficiency of the reaction system. The captured carbon has elongated fiber-like morphology with potential utilization as a functional material. We expect that the coupled reaction system designed in this study can serve as an innovative technology, contributing towards realizing a carbon-neutral society.
本研究提出了一种减少工业过程二氧化碳排放和促进可持续环境发展的新方法。重点是对排放的CO2进行后处理,构建CO2转化的耦合催化反应体系。该耦合反应系统由3个反应器组成:1个反应器用于CO2甲烷化,2个反应器用于CH4 (DRM)的干重整,3个反应器用于固碳捕获。所构建的系统即使在较高的气体流速(2l min - 1)下也能连续生产合成气(H2 + CO),同时回收30%的引入二氧化碳为固体碳。此外,在该系统中,我们已经证明H2的数量低于甲烷化反应的化学计量比(H2/CO2 = 4.0)有利于系统运行。在这些条件下,显著提高了DRM和碳捕获性能。研究结果表明,该系统具有利用较低的H2化学计量比有效处理工业排放CO2的潜力,这对环境保护和节能具有重要意义。此外,热力学评价表明,减少H2供给量应该对反应系统的火用效率有有益的影响。捕获的碳具有细长的纤维状形态,具有作为功能材料的潜在利用价值。我们期望本研究设计的耦合反应系统能够成为一种创新技术,为实现碳中和社会做出贡献。
{"title":"Multi-stage structured catalyst system for post-treatment of GHGs emitted from industrial processes","authors":"Choji Fukuhara, Hiroto Naiki, Hiroshi Akama, Yuki Yamada, Priyanka Verma and Ryo Watanabe","doi":"10.1039/D5SE00847F","DOIUrl":"https://doi.org/10.1039/D5SE00847F","url":null,"abstract":"<p >This study proposes a new approach for reducing CO<small><sub>2</sub></small> emissions from industrial processes and contributing to sustainable environmental development. The primary focus is on post-processing emitted CO<small><sub>2</sub></small> and constructing a coupled catalytic reaction system for CO<small><sub>2</sub></small> conversion. This coupled reaction system consists of three reactors: the 1st reactor for the methanation of CO<small><sub>2</sub></small>, the 2nd reactor for the dry reforming of CH<small><sub>4</sub></small> (DRM), and the 3rd reactor for solid carbon capture. The constructed system enabled the continuous production of synthesis gas (H<small><sub>2</sub></small> + CO) even at a higher gas flow rate of 2 L min<small><sup>−1</sup></small> while recovering >30% of the introduced CO<small><sub>2</sub></small> as solid carbon. Furthermore, in this system, we have demonstrated that the quantity of H<small><sub>2</sub></small> lower than the stoichiometric ratio of the methanation reaction (H<small><sub>2</sub></small>/CO<small><sub>2</sub></small> = 4.0) is advantageous for system operation. Significantly improved DRM and carbon capture performance were achieved under these conditions. The obtained results indicate the potential of this system in the efficient treatment of CO<small><sub>2</sub></small> from industrial emissions using a lower stoichiometric ratio of H<small><sub>2</sub></small>, which has significant implications for environmental conservation and energy reduction. Additionally, the thermodynamic evaluation indicated that reducing the amount of supplied H<small><sub>2</sub></small> should have a beneficial impact on the exergy efficiency of the reaction system. The captured carbon has elongated fiber-like morphology with potential utilization as a functional material. We expect that the coupled reaction system designed in this study can serve as an innovative technology, contributing towards realizing a carbon-neutral society.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 211-226"},"PeriodicalIF":4.1,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904404","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}
Jitendra Kumar Yadav, Subhajit Nandy, Keun Hwa Chae, Jitendra Pal Singh and Ambesh Dixit
Rechargeable iron-ion (Fe-ion) batteries are gaining attention due to their unique characteristics, including earth abundance, cost-effectiveness, eco-friendly nature, and high electrochemical performance. However, capacity degradation during cycling hinders their effective use. To investigate the material's degradation in rechargeable Fe-ion batteries, two different coin cells are fabricated utilizing mild steel (MS) and ZnO-coated mild steel (ZnO@MS) as anodes. In both cases, V2O5 is used as the cathode, along with a non-aqueous electrolyte. Cyclic voltammetry and galvanostatic charge–discharge analyses are conducted at different cycling stages, viz. 20, 40, 60, and 80 cycles, for determining the electrochemical performance of these anode-based coin cell batteries. The coin cells are dismantled after cycling, and the post-cycled electrodes are subjected to ex situ scanning electron microscopy, X-ray diffraction, and X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements to probe the structural and chemical degradation mechanisms of the electrode materials. The results from the XANES and EXAFS measurements provide critical insights into the evolution of the electronic structure and local atomic environment, revealing degradation trends correlated with the cycling performance. The comparison between the MS and ZnO@MS anodes highlights the protective role of ZnO coating in mitigating degradation. In both cases, the V2O5 cathode exhibits significant transformation after cycling, possibly due to changes in the oxidation states due to the insertion of Fe ions in the cathode. Thus, these findings offer a deeper understanding of the stability of materials in Fe-ion batteries and anode modification possibilities, which are crucial for developing durable, cost-effective energy storage systems.
{"title":"Insights into the mechanism of electrode degradation and performance enhancing strategies for iron-ion batteries using X-ray absorption spectroscopy","authors":"Jitendra Kumar Yadav, Subhajit Nandy, Keun Hwa Chae, Jitendra Pal Singh and Ambesh Dixit","doi":"10.1039/D5SE01206F","DOIUrl":"https://doi.org/10.1039/D5SE01206F","url":null,"abstract":"<p >Rechargeable iron-ion (Fe-ion) batteries are gaining attention due to their unique characteristics, including earth abundance, cost-effectiveness, eco-friendly nature, and high electrochemical performance. However, capacity degradation during cycling hinders their effective use. To investigate the material's degradation in rechargeable Fe-ion batteries, two different coin cells are fabricated utilizing mild steel (MS) and ZnO-coated mild steel (ZnO@MS) as anodes. In both cases, V<small><sub>2</sub></small>O<small><sub>5</sub></small> is used as the cathode, along with a non-aqueous electrolyte. Cyclic voltammetry and galvanostatic charge–discharge analyses are conducted at different cycling stages, <em>viz.</em> 20, 40, 60, and 80 cycles, for determining the electrochemical performance of these anode-based coin cell batteries. The coin cells are dismantled after cycling, and the post-cycled electrodes are subjected to <em>ex situ</em> scanning electron microscopy, X-ray diffraction, and X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements to probe the structural and chemical degradation mechanisms of the electrode materials. The results from the XANES and EXAFS measurements provide critical insights into the evolution of the electronic structure and local atomic environment, revealing degradation trends correlated with the cycling performance. The comparison between the MS and ZnO@MS anodes highlights the protective role of ZnO coating in mitigating degradation. In both cases, the V<small><sub>2</sub></small>O<small><sub>5</sub></small> cathode exhibits significant transformation after cycling, possibly due to changes in the oxidation states due to the insertion of Fe ions in the cathode. Thus, these findings offer a deeper understanding of the stability of materials in Fe-ion batteries and anode modification possibilities, which are crucial for developing durable, cost-effective energy storage systems.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 334-348"},"PeriodicalIF":4.1,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904356","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}
Tianqi Yang, Dong Wei, Hao Luo, Ben Chen, Yonghua Cai, Chenglong Li, Xuefang Li, Richard Chahine and Jinsheng Xiao
Pressure swing adsorption (PSA) is widely used for hydrogen purification from steam methane reforming (SMR) off-gases, but its design and optimization require extensive equilibrium adsorption data. These data are typically obtained from static experiments, which are often costly, time-consuming, and inefficient. This study presents a machine learning-based approach to predict the adsorption capacities of two types of silica gels (SG1 and SG2) for key gas components (CO2, CH4, CO, and H2) in the SMR process, aiming to significantly reduce experimental costs and enhance data acquisition efficiency. Five widely used machine learning models were investigated, including decision tree (DT), random forest (RF), extreme gradient boosting (XGBoost), support vector machine (SVM), and deep neural network (DNN). To improve model performance, hyperparameters were optimized using the Optuna framework, combined with five-fold cross-validation. All five models demonstrated excellent predictive accuracy, with coefficients of determination (R2) exceeding 0.99. Among them, the DNN model outperformed the others, achieving an R2 value of 0.999. To validate the model predictions, three temperature-dependent adsorption isotherm models (single-site Langmuir, single-site Langmuir–Freundlich and dual-site Langmuir) were employed to fit the experimental data. The dual-site Langmuir model provided the best fit for CO2 and CH4, while the single-site Langmuir–Freundlich model was most suitable for CO and H2. The adsorption capacities predicted by the DNN model showed strong agreement with those from the optimal isotherm models for all four gases. Furthermore, the DNN model was used to predict CO2 adsorption capacities under extrapolated temperature and pressure conditions. The DNN predictions closely matched those from the dual-site Langmuir model and were consistent with experimental measurements. These results confirm that the DNN approach can effectively replace conventional static experiments for accurately and efficiently generating equilibrium adsorption data.
{"title":"Machine learning prediction on adsorption capacities of steam methane reforming off-gas in silica gels","authors":"Tianqi Yang, Dong Wei, Hao Luo, Ben Chen, Yonghua Cai, Chenglong Li, Xuefang Li, Richard Chahine and Jinsheng Xiao","doi":"10.1039/D5SE01324K","DOIUrl":"https://doi.org/10.1039/D5SE01324K","url":null,"abstract":"<p >Pressure swing adsorption (PSA) is widely used for hydrogen purification from steam methane reforming (SMR) off-gases, but its design and optimization require extensive equilibrium adsorption data. These data are typically obtained from static experiments, which are often costly, time-consuming, and inefficient. This study presents a machine learning-based approach to predict the adsorption capacities of two types of silica gels (SG1 and SG2) for key gas components (CO<small><sub>2</sub></small>, CH<small><sub>4</sub></small>, CO, and H<small><sub>2</sub></small>) in the SMR process, aiming to significantly reduce experimental costs and enhance data acquisition efficiency. Five widely used machine learning models were investigated, including decision tree (DT), random forest (RF), extreme gradient boosting (XGBoost), support vector machine (SVM), and deep neural network (DNN). To improve model performance, hyperparameters were optimized using the Optuna framework, combined with five-fold cross-validation. All five models demonstrated excellent predictive accuracy, with coefficients of determination (<em>R</em><small><sup>2</sup></small>) exceeding 0.99. Among them, the DNN model outperformed the others, achieving an <em>R</em><small><sup>2</sup></small> value of 0.999. To validate the model predictions, three temperature-dependent adsorption isotherm models (single-site Langmuir, single-site Langmuir–Freundlich and dual-site Langmuir) were employed to fit the experimental data. The dual-site Langmuir model provided the best fit for CO<small><sub>2</sub></small> and CH<small><sub>4</sub></small>, while the single-site Langmuir–Freundlich model was most suitable for CO and H<small><sub>2</sub></small>. The adsorption capacities predicted by the DNN model showed strong agreement with those from the optimal isotherm models for all four gases. Furthermore, the DNN model was used to predict CO<small><sub>2</sub></small> adsorption capacities under extrapolated temperature and pressure conditions. The DNN predictions closely matched those from the dual-site Langmuir model and were consistent with experimental measurements. These results confirm that the DNN approach can effectively replace conventional static experiments for accurately and efficiently generating equilibrium adsorption data.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 24","pages":" 6841-6852"},"PeriodicalIF":4.1,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145652229","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}
Tamal Pal, Soumalya Bhowmik, Sushant Sharma, Ameer Suhail, Nageswara Rao Peela, Chivukula V. Sastri and Parameswar Krishnan Iyer
The photocatalytic dissociation of hydroiodic acid (HI) utilizing halide perovskites offers an environmentally benign and economically viable approach for hydrogen production under ambient temperature conditions. With lead-halide perovskites showing encouraging efficacy in the domain of photocatalytic hydrogen generation, this work focused on developing a lead-free Bi-based hybrid perovskite, specifically MA3Bi2I9 (MABI), which was successfully synthesized in a heterostructure configuration, wherein the MABI perovskite was in situ grown around amorphous MoS2. This research underscores that for heterostructures made of amorphous MoS2 and MABI, the doping of phosphorus not only modified the energy levels but it also altered the crucial bandgap values of amorphous MoS2. The shifted energy levels of MoS2 relative to MABI resulted in unique energy band arrangements for the three composites. A transition of the heterojunction from type I to type II was observed with the phosphorus-doped MoS2-containing composites. Among all three composites, P50_MoS2/MABI possessed advantageous band alignment, facilitating the most efficient photogenerated charge separation and transport. Under optimal reaction parameters, a hydrogen evolution rate of 1176 µmol g−1 h−1 can be attained for P50_MoS2/MABI composites.
{"title":"Unravelling the transformation from a type-I to type-II MA3Bi2I9-based heterostructure photocatalyst via energy band engineering","authors":"Tamal Pal, Soumalya Bhowmik, Sushant Sharma, Ameer Suhail, Nageswara Rao Peela, Chivukula V. Sastri and Parameswar Krishnan Iyer","doi":"10.1039/D5SE01135C","DOIUrl":"https://doi.org/10.1039/D5SE01135C","url":null,"abstract":"<p >The photocatalytic dissociation of hydroiodic acid (HI) utilizing halide perovskites offers an environmentally benign and economically viable approach for hydrogen production under ambient temperature conditions. With lead-halide perovskites showing encouraging efficacy in the domain of photocatalytic hydrogen generation, this work focused on developing a lead-free Bi-based hybrid perovskite, specifically MA<small><sub>3</sub></small>Bi<small><sub>2</sub></small>I<small><sub>9</sub></small> (MABI), which was successfully synthesized in a heterostructure configuration, wherein the MABI perovskite was <em>in situ</em> grown around amorphous MoS<small><sub>2</sub></small>. This research underscores that for heterostructures made of amorphous MoS<small><sub>2</sub></small> and MABI, the doping of phosphorus not only modified the energy levels but it also altered the crucial bandgap values of amorphous MoS<small><sub>2</sub></small>. The shifted energy levels of MoS<small><sub>2</sub></small> relative to MABI resulted in unique energy band arrangements for the three composites. A transition of the heterojunction from type I to type II was observed with the phosphorus-doped MoS<small><sub>2</sub></small>-containing composites. Among all three composites, P50_MoS<small><sub>2</sub></small>/MABI possessed advantageous band alignment, facilitating the most efficient photogenerated charge separation and transport. Under optimal reaction parameters, a hydrogen evolution rate of 1176 µmol g<small><sup>−1</sup></small> h<small><sup>−1</sup></small> can be attained for P50_MoS<small><sub>2</sub></small>/MABI composites.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 294-303"},"PeriodicalIF":4.1,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904392","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}
Tae Hyung Kim, Chuan Hu, Hyeon Keun Cho, Seung Hyun Jae, Sujin Lee, Bongjun Yeom, Young Moo Lee and Young-Hoon Kim
Alkaline anion exchange membrane water electrolyzers (AEMWEs) are a promising technology for hydrogen production from renewable energy sources. However, their performance is far lower than that of proton exchange membrane water electrolyzers and traditional alkaline water electrolyzers. Here, we demonstrate that chiral catalysts embedded in the porous transport layer (PTL) can enhance AEMWE performance. The chiral CoOx-based PTL achieves a current density of 8.21 A cm−2 at 2.0 V in AEMWEs, which is higher than that of the achiral meso-CoOx-PTL (5.42 A cm−2). The chiral CoOx-PTL provides additional active sites and facilitates interfacial charge transfer between the catalyst and electrolyte, thereby increasing the current density during electrocatalysis. Electrochemical analysis and measurement of H2O2 byproduct concentration confirmed that the chiral CoOx-PTL suppresses H2O2 formation even after surface reconstruction, supporting the persistence of the spin polarization. Extending this strategy to bimetallic systems, the chiral NiFe-based PTL achieves a remarkable current density of 11.5 A cm−2 at 2.0 V and exceptional operational stability, maintaining 1 A cm−2 for over 1000 hours in 1 M KOH. These results demonstrate the potential of spin-engineered catalysts for advancing AEMWEs toward industrial-scale hydrogen production.
碱性阴离子交换膜水电解槽(AEMWEs)是一种很有前途的可再生能源制氢技术。但其性能远低于质子交换膜水电解槽和传统碱性水电解槽。本研究证明,手性催化剂嵌入多孔传输层(PTL)可以提高AEMWE的性能。在AEMWEs中,手性coox基PTL在2.0 V时的电流密度为8.21 a cm−2,高于非手性介观coox -PTL的5.42 a cm−2。手性CoOx-PTL提供了额外的活性位点,促进了催化剂和电解质之间的界面电荷转移,从而增加了电催化过程中的电流密度。电化学分析和测量H2O2副产物浓度证实手性CoOx-PTL即使在表面重建后也抑制H2O2的形成,支持自旋极化的持续存在。将这一策略扩展到双金属体系中,手性nife基PTL在2.0 V下实现了11.5 a cm - 2的电流密度,并且具有出色的工作稳定性,在1m KOH下保持1 a cm - 2超过1000小时。这些结果证明了自旋工程催化剂在推进AEMWEs向工业规模制氢方面的潜力。
{"title":"A spin polarization porous transport layer for anion exchange membrane water electrolyzers with a current density of 11.5 A cm−2","authors":"Tae Hyung Kim, Chuan Hu, Hyeon Keun Cho, Seung Hyun Jae, Sujin Lee, Bongjun Yeom, Young Moo Lee and Young-Hoon Kim","doi":"10.1039/D5SE01313E","DOIUrl":"https://doi.org/10.1039/D5SE01313E","url":null,"abstract":"<p >Alkaline anion exchange membrane water electrolyzers (AEMWEs) are a promising technology for hydrogen production from renewable energy sources. However, their performance is far lower than that of proton exchange membrane water electrolyzers and traditional alkaline water electrolyzers. Here, we demonstrate that chiral catalysts embedded in the porous transport layer (PTL) can enhance AEMWE performance. The chiral CoO<small><sub><em>x</em></sub></small>-based PTL achieves a current density of 8.21 A cm<small><sup>−2</sup></small> at 2.0 V in AEMWEs, which is higher than that of the achiral <em>meso</em>-CoO<small><sub><em>x</em></sub></small>-PTL (5.42 A cm<small><sup>−2</sup></small>). The chiral CoO<small><sub><em>x</em></sub></small>-PTL provides additional active sites and facilitates interfacial charge transfer between the catalyst and electrolyte, thereby increasing the current density during electrocatalysis. Electrochemical analysis and measurement of H<small><sub>2</sub></small>O<small><sub>2</sub></small> byproduct concentration confirmed that the chiral CoO<small><sub><em>x</em></sub></small>-PTL suppresses H<small><sub>2</sub></small>O<small><sub>2</sub></small> formation even after surface reconstruction, supporting the persistence of the spin polarization. Extending this strategy to bimetallic systems, the chiral NiFe-based PTL achieves a remarkable current density of 11.5 A cm<small><sup>−2</sup></small> at 2.0 V and exceptional operational stability, maintaining 1 A cm<small><sup>−2</sup></small> for over 1000 hours in 1 M KOH. These results demonstrate the potential of spin-engineered catalysts for advancing AEMWEs toward industrial-scale hydrogen production.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 304-310"},"PeriodicalIF":4.1,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904393","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}
Vikas Kumar, Sahil Thakur, Jai Prakash, Sushil Kumar Kansal, Hendrik Christoffel Swart, Mikhael Bechelany and Awnish Kumar Tripathi
Extensive research efforts in past few decades have identified thousands of nanoparticles for various potential applications. However, only a few have found relevance in real-world industrial applications. A key question that continues to challenge material researchers is “what truly defines the foundation for designing nanomaterials that can meet all the critical criteria for industrial applications”? This tutorial review begins by highlighting the strategic significance of both metallic and non-metallic components in semiconductor nanomaterial systems. It emphasizes that the intelligent integration of these components can markedly develop the functional properties of semiconductor nanoparticles (NPs). Such synergistic development makes these materials highly attractive for a wide range of industrial applications. Cu–Se synergy mitigates Cu toxicity and yields a low band gap semiconductor with complementary electronic properties of Cu and Se, positioning CuSe as a promising candidate for next-generation solar energy conversion and healthcare technologies. This review emphasizes the crucial role of nanostructures (NSs) design in influencing the photogenerated electron–hole pair's dynamics, detailing various strategies employed to fabricate diverse 0D–3D CuSe NSs. CuSe NSs are also reviewed for their multifunctional solar energy conversion applications, including photocatalysis and photovoltaic cells. Extending beyond solar energy, the promising potential of CuSe NSs in energy storage systems and biomedical applications showcases their versatility and wide-ranging applicability. With a consolidated overview of the findings, the current challenges and future perspectives for harnessing the full potential of CuSe NSs, as advanced multifunctional energy materials, are discussed. Eventually, potential future industrial applications are discussed followed by a summary and outlook.
{"title":"Translational potential of CuSe nanostructures as advanced energy materials: fundamental insights and emerging multifunctional solar energy conversion applications","authors":"Vikas Kumar, Sahil Thakur, Jai Prakash, Sushil Kumar Kansal, Hendrik Christoffel Swart, Mikhael Bechelany and Awnish Kumar Tripathi","doi":"10.1039/D5SE01167A","DOIUrl":"https://doi.org/10.1039/D5SE01167A","url":null,"abstract":"<p >Extensive research efforts in past few decades have identified thousands of nanoparticles for various potential applications. However, only a few have found relevance in real-world industrial applications. A key question that continues to challenge material researchers is “what truly defines the foundation for designing nanomaterials that can meet all the critical criteria for industrial applications”? This tutorial review begins by highlighting the strategic significance of both metallic and non-metallic components in semiconductor nanomaterial systems. It emphasizes that the intelligent integration of these components can markedly develop the functional properties of semiconductor nanoparticles (NPs). Such synergistic development makes these materials highly attractive for a wide range of industrial applications. Cu–Se synergy mitigates Cu toxicity and yields a low band gap semiconductor with complementary electronic properties of Cu and Se, positioning CuSe as a promising candidate for next-generation solar energy conversion and healthcare technologies. This review emphasizes the crucial role of nanostructures (NSs) design in influencing the photogenerated electron–hole pair's dynamics, detailing various strategies employed to fabricate diverse 0D–3D CuSe NSs. CuSe NSs are also reviewed for their multifunctional solar energy conversion applications, including photocatalysis and photovoltaic cells. Extending beyond solar energy, the promising potential of CuSe NSs in energy storage systems and biomedical applications showcases their versatility and wide-ranging applicability. With a consolidated overview of the findings, the current challenges and future perspectives for harnessing the full potential of CuSe NSs, as advanced multifunctional energy materials, are discussed. Eventually, potential future industrial applications are discussed followed by a summary and outlook.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 56-98"},"PeriodicalIF":4.1,"publicationDate":"2025-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904362","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}