燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(25)60622-0
Yuhong CHANG , Xue HAN , Yanxia ZHANG , Guofang LI , Tianjun HU , Wenwen CHEN , Linjuan PEI , Jianfeng JIA
{"title":"Hydrothermal carbon with abundant oxygen-containing functional groups for photocatalytic H2O2 generation in water and seawater","authors":"Yuhong CHANG , Xue HAN , Yanxia ZHANG , Guofang LI , Tianjun HU , Wenwen CHEN , Linjuan PEI , Jianfeng JIA","doi":"10.1016/S1872-5813(25)60622-0","DOIUrl":"10.1016/S1872-5813(25)60622-0","url":null,"abstract":"<div><div>Photosynthesis of H<sub>2</sub>O<sub>2</sub> via sustainable biomass-derived carbon catalysts facilitate the conversion of renewable resources into valuable chemicals. However, the regulatory function of surface functional groups over reaction kinetics has not been sufficiently investigated. Herein, hydrothermal carbon spheres (CS) rich in oxygen-containing functional groups demonstrated a remarkably high H<sub>2</sub>O<sub>2</sub> production rate (653 μmol/(g·h)) in both pure water and actual seawater, even in the absence of any sacrificial agent. Meanwhile, the catalyst demonstrates outstanding activity (92% conversion and >99% selectivity) in the visible-light-driven photocatalytic oxidation of benzylamine to imines. Comprehensive analysis reveals that CS was rich in surface oxygen-containing functional groups, a feature strongly associated with its high photocatalytic efficiency. The observed positive Zeta potential of CS in seawater likely diminished the electrostatic repulsion against the positively charged \u0000\t\t\t\t<span><math><mo>⋅</mo><msubsup><mrow><mtext>O</mtext></mrow><mrow><mtext>2</mtext></mrow><mrow><mo>-</mo></mrow></msubsup></math></span> intermediates, thereby facilitating their accumulation at the liquid-solid interface. This work proposes a strategic framework for developing metal-free photocatalysts from biomass, offering a sustainable pathway for photocatalytic applications.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250246"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(25)60616-5
Zhengpu QIU , Yunzhao XU , Peng WANG , Xiaoxia TAO , Huimin ZHANG , Yang CHEN , Yi LIU , Hua YANG , Fenghai CAO , Yajie FU , Lizhi WU , Yu TANG , Xiaoying XU , Li TAN
{"title":"The role of copper valence states in CuZnAl catalysts for CO2-to-methanol conversion","authors":"Zhengpu QIU , Yunzhao XU , Peng WANG , Xiaoxia TAO , Huimin ZHANG , Yang CHEN , Yi LIU , Hua YANG , Fenghai CAO , Yajie FU , Lizhi WU , Yu TANG , Xiaoying XU , Li TAN","doi":"10.1016/S1872-5813(25)60616-5","DOIUrl":"10.1016/S1872-5813(25)60616-5","url":null,"abstract":"<div><div>CuZnAl (CZA) is a classic industrial catalyst widely used for the synthesis of methanol from syngas, but its catalytic performance is not optimal for the hydrogenation of CO<sub>2</sub> to methanol. Meanwhile, understanding the catalytic mechanism of Cu species in the CZA catalyst remains a great challenge. In this study, we systematically investigated the valence state change of active Cu species in CZA catalyst and their influence on catalytic performance by modifying the catalysts with varying amounts of electron donor K, thus identifying the catalytic function of Cu species with different valence states. H<sub>2</sub>-TPR, XPS and HR-TEM characterizations reveal that the highly dispersed K species supported on CZA catalysts will inhibit the reduction of CuO, resulting in a small amount of Cu<sub>2</sub>O active species being produced under reaction conditions thus causing a decrease in catalytic activity. Furthermore, XRD and Cu LMM spectra show that the proportion of Cu<sup>0</sup> in K-modified CZA catalysts increases with K loading, but a higher proportion of Cu<sup>0</sup> species on the surface obviously promotes the reverse water gas shift (RWGS) reaction. According to the results of in situ infrared spectroscopy, CZA catalyst follows the reaction pathway mediated by HCOO* in the hydrogenation of CO<sub>2</sub> to methanol.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250210"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(26)60647-0
Shanshan JIANG , Dabo LIU , Mengyuan XIAO, Xiaoxing FAN
{"title":"Interface regulation for enhanced photoelectrochemical performance of CuBi2O4 photocathodes","authors":"Shanshan JIANG , Dabo LIU , Mengyuan XIAO, Xiaoxing FAN","doi":"10.1016/S1872-5813(26)60647-0","DOIUrl":"10.1016/S1872-5813(26)60647-0","url":null,"abstract":"<div><div>Photoelectrochemical (PEC) water splitting is an effective approach to directly convert solar energy into clean hydrogen fuel. As a visible-light-responsive p-type semiconductor, CuBi<sub>2</sub>O<sub>4</sub> possesses a suitable bandgap and good stability. However, its performance is inhibited by high interfacial resistance and severe charge carrier recombination. In this study, a CuO interlayer was introduced between fluorine-doped tin oxide (FTO) and CuBi<sub>2</sub>O<sub>4</sub> to construct CuO/CuBi<sub>2</sub>O<sub>4</sub> photocathodes, aiming to improve interfacial charge transfer. The results showed that CuO/CuBi<sub>2</sub>O<sub>4</sub>-200 exhibited a photocurrent density of −1.71 mA/cm<sup>2</sup> at 0 V vs. RHE, which was more than 3.5 times higher than that of bare CuBi<sub>2</sub>O<sub>4</sub>. The incident photon-to-current efficiency (IPCE) at 365 nm was enhanced to ~13% and the maximum applied bias photon-to-current efficiency (ABPE) reached 0.17%. Water splitting experiments revealed a hydrogen yield of 2.05 μmol/cm<sup>2</sup> significantly surpassing that of the unmodified photoelectrode. The enhanced PEC performance indicated that the CuO layer established a favorable band alignment, promoted hole transport toward the FTO substrate and effectively suppressed interfacial carrier recombination. This work demonstrated a simple and efficient interfacial engineering strategy, offering new insights and guidance for the design and development of high-performance semiconductor-based PEC photoelectrodes.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250224"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Chemical-looping methane hydrogen production performance of Cu, La, Ce modified Fe2O3/Al2O3 oxygen carrier","authors":"Liangnuo YANG, Yilong LI, Zheng ZHOU, Chunhuan DENG, Hao MA, Zisheng DING, Guoliang LI, Ming LI, Zhenhua GU","doi":"10.1016/S1872-5813(25)60630-X","DOIUrl":"10.1016/S1872-5813(25)60630-X","url":null,"abstract":"<div><div>Chemical looping methane steam reforming (CL-MSR) has garnered significant attention owing to its ability to sequentially produce syngas with high selectivity and high-purity hydrogen through redox cycling. To overcome the limitations of single iron-based oxygen carriers, including poor cycling stability, low reactivity and susceptibility to sintering, this study employed a dip-coating method to modify Fe<sub>2</sub>O<sub>3</sub>/Al<sub>2</sub>O<sub>3</sub> oxygen carriers by incorporating three distinct metal additives: Cu, La and Ce. The composite oxygen carriers were systematically characterized and evaluated under redox conditions to investigate the structure-activity relationships between the physicochemical properties, reactivity, and hydrogen production performance. Results revealed that the spinel-phase CuFe<sub>2</sub>O<sub>4</sub> exhibited higher reactivity than the perovskite-phase LaFeO<sub>3</sub> and CeO<sub>2</sub>, promoting the deeper reduction of Fe<sub>2</sub>O<sub>3</sub>. Fe58Cu2Al exhibited an oxygen storage capacity as high as 6.5 mmol/g. During the CH<sub>4</sub> reaction stage, Fe58Cu2Al achieved the highest oxygen loss of 12.1 g/100 g oxygen carrier, accompanied by a syngas yield of 5.15 mmol/g—1.33 times and 1.59 times greater than that of Fe60Al. In the hydrogen production stage, the 2% Cu-modified oxygen carrier demonstrated optimal performance, yielding 5.13 mmol/g of hydrogen, which was 1.51 times that of the pristine sample. Even after ten cycles, the H<sub>2</sub> yield remained at 3.61 mmol/g, surpassing the single-cycle output of the pristine sample and the H<sub>2</sub> purity consistently exceeded 98%.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250214"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(26)60673-1
Lin YANG , Jianghong WU , He WANG
{"title":"A standardized dataset of CO-TPD spectra on transition-metal single-crystal surfaces","authors":"Lin YANG , Jianghong WU , He WANG","doi":"10.1016/S1872-5813(26)60673-1","DOIUrl":"10.1016/S1872-5813(26)60673-1","url":null,"abstract":"<div><div>Temperature-programmed desorption (TPD) is a fundamental technique in surface science and heterogeneous catalysis for characterizing adsorption behavior, and for extracting key parameters such as adsorption energy. However, the majority of existing TPD data is accessible in the form of published images, which lacks structured and quantitative datasets. This constrains its utility for rigorous quantitative analysis and computational modelling. Using carbon monoxide (CO) which is a widely adopted probe molecule, a curated and standardized dataset of CO-TPD is constructed, encompassing 14 transition-metal single-crystal surfaces, including copper (Cu) and ruthenium (Ru). By systematically extracting numerical data points from published spectra and applying normalization, essential spectral features such as peak shape are fully preserved. The dataset also documents relevant experimental parameters, including heating rates, and was developed using a standardized protocol for data collection and quality control. This resource serves as both a reference library to support the deconvolution of TPD spectra from complex catalysts and an experimental benchmark for calibrating parameters in theoretical models. By providing a reliable and accessible data function, this work advances the microscopic understanding and the rational design of catalyst active centers.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250388"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(25)60612-8
Tianhao NAN , Anning ZHOU , Rui HAN , Chunmeng HAN , Heng CHEN , Ningning ZHANG , Bingying LI
{"title":"Efficient leaching and separation of iron, aluminum, and calcium from carbon-rich components in coal gasification fine slag using organic acids","authors":"Tianhao NAN , Anning ZHOU , Rui HAN , Chunmeng HAN , Heng CHEN , Ningning ZHANG , Bingying LI","doi":"10.1016/S1872-5813(25)60612-8","DOIUrl":"10.1016/S1872-5813(25)60612-8","url":null,"abstract":"<div><div>The efficient extraction and separation of valuable metal elements from coal gasification fine slag (CGFS) are crucial for the comprehensive high-value utilization of its constituents. This study focused on the carbon-rich components of CGFS (CGFS-H) and systematically investigates the selective leaching behavior of Fe<sup>3+</sup>, Al<sup>3+</sup> and Ca<sup>2+</sup> using three organic acid extractants, i.e., citric acid, tartaric acid, and tetrasodium iminodisuccinate. Additionally, the stepwise leaching of iron, aluminum and calcium from CGFS-H is explored. The selective dissolution mechanisms of these metals by different organic acids are elucidated through X-ray diffraction (XRD), X-ray fluorescence (XRF), and scanning electron microscopy (SEM) analyses. The results indicate that tetrasodium iminodisuccinate exhibits the highest leaching selectivity for Fe<sup>3+</sup>, while tartaric acid demonstrateds a comparable affinity for both Fe<sup>3+</sup> and Al<sup>3+</sup>. In contrast citric acid shows superior selectivity toward Ca<sup>2+</sup>. The leaching yield of Fe<sup>3+</sup>, Al<sup>3+</sup> and Ca<sup>2+</sup> after sequential leaching with the three organic acids were 79.8%, 65.08% and 78.6%, respectively. These findings confirm that effective and selective separation of Fe<sup>3+</sup>, Al<sup>3+</sup> and Ca<sup>2+</sup> from CGFS-H can be achieved via optimized organic acid-based leaching strategies. This advancement provides a critical foundation for developing Ca/Fe/Al hydrotalcite materials using CGFS-H as a sustainable feedstock, thereby facilitating the transformation of waste residue into high-value functional materials and promoting resource-efficient utilization of coal gasification fine slag.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250196"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(25)60627-X
Hongbin YANG , Chunchang ZHANG , Wenwen XIA , Li YAO
{"title":"Ring formation mechanism of C4H3 radical and acetylene in soot precursor formation","authors":"Hongbin YANG , Chunchang ZHANG , Wenwen XIA , Li YAO","doi":"10.1016/S1872-5813(25)60627-X","DOIUrl":"10.1016/S1872-5813(25)60627-X","url":null,"abstract":"<div><div>This study systematically investigates the cyclization reaction mechanisms between n-C<sub>4</sub>H<sub>3</sub> (1-buten-3-yn-1-yl) and i-C<sub>4</sub>H<sub>3</sub> (2-buten-3-yn-1-yl) radicals with acetylene (C<sub>2</sub>H<sub>2</sub>) using density functional theory (DFT) and transition state theory (TST). The results reveal that the reaction of n-C<sub>4</sub>H<sub>3</sub> with acetylene proceeds via a radical chain mechanism through an addition-cyclization pathway, yielding phenyl (six-membered ring), fulvenyl (five-membered ring), and four-membered ring intermediates. The product formation rates follow the order: fulvenyl (five-membered ring) > phenyl (six-membered ring) > four-membered ring. For i-C<sub>4</sub>H<sub>3</sub>, the intermediate structures depend on the carbon position of i-C<sub>4</sub>H<sub>3</sub> where acetylene addition occurs: addition at the C2 position predominantly generates fulvenyl (five-membered ring) as the primary product, whereas addition at the C4 position may lead to phenyl (six-membered ring), fulvenyl (five-membered ring), or four-membered ring intermediates, with the four-membered ring forming most rapidly and the six-membered ring the slowest. Theoretical analyses demonstrate that the selectivity of reaction pathways is primarily governed by structural differences between the isomers. This work provides atomic-scale insights into the cyclization processes between acetylene and C<sub>4</sub>H<sub>3</sub> species, establishing a foundation for refining models of soot precursor formation.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250198"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(25)60620-7
Xiwu WANG , Haowei LI , Zhendong QI , Xingbao WANG , Jie FENG , Yimeng ZHU , Wenying LI
{"title":"Intelligent analysis of direct coal liquefaction diesel components by near-infrared spectroscopy","authors":"Xiwu WANG , Haowei LI , Zhendong QI , Xingbao WANG , Jie FENG , Yimeng ZHU , Wenying LI","doi":"10.1016/S1872-5813(25)60620-7","DOIUrl":"10.1016/S1872-5813(25)60620-7","url":null,"abstract":"<div><div>Diesel accounts for over 60% of the products derived from direct coal liquefaction (DCL). Compared to petroleum-based diesel, DCL diesel exhibits a cetane number ranging from 30 to 40, which fails to meet the automotive diesel standard requirement of ≥45. Therefore, rapid and accurate analysis of its chemical composition is crucial for property optimization to meet fuel specifications by component blending. Thought traditional methods like gas chromatography offer high accuracy, they are unsuitable for rapid online analysis under industrial conditions. Near-infrared (NIR) spectroscopy can provide advantages in rapid, non-destructive analysis. Its application however, is limited by the complexity of spectral data interpretation. Machine learning (ML) is effective method for extracting valuable information from spectra and establishing high-precision prediction models. This study integrates NIR spectroscopy with ML to construct a spectral-composition database for DCL diesel. Feature extraction was performed using the correlation coefficient and mutual information methods to screen key wavelength variables and reduce data dimensionality. Subsequently, the predictive performance of three ML models—Lasso, SVR and XGBoost—was compared. Results indicate that excluding spectral data with absorbance greater than 1 significantly enhances model accuracy, increasing the test set R<sup>2</sup> from 0.85 to 0.96. After feature extraction, the optimal number of wavelength variables was reduced to 177, substantially improving computational efficiency. Among the models evaluated, the SVR-MI-0.9 model, based on mutual information feature selection, demonstrated the best performance, achieving training and test set R<sup>2</sup> values both exceeding 0.98. This model enables precise prediction of paraffin, naphthene, and aromatic hydrocarbon contents. This research provides a robust methodology for intelligent online quality monitoring. An intelligent NIR spectroscopy data analysis software was independently developed based on the established model. Compared with comprehensive two-dimensional gas chromatography, the software reduced the analysis time by over 98%, with an absolute prediction error below 0.2%. Thus, rapid analysis of DCL diesel components was successfully realized.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250199"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(25)60625-6
Wenhao DUAN , Yan ZHAO , Huanran WANG , Yaming ZHU , Xianchun LI
{"title":"Design of catalysts for electrochemical nitric oxide reduction to ammonia based on stacked ensemble learning","authors":"Wenhao DUAN , Yan ZHAO , Huanran WANG , Yaming ZHU , Xianchun LI","doi":"10.1016/S1872-5813(25)60625-6","DOIUrl":"10.1016/S1872-5813(25)60625-6","url":null,"abstract":"<div><div>The electrocatalytic reduction of nitric oxide for ammonia synthesis (NORR) is a key green energy conversion technology. Its efficiency relies on high-performance electrocatalysts to enhance both ammonia yield (\u0000\t\t\t\t<span><math><msub><mrow><mtext>Y</mtext></mrow><mrow><msub><mrow><mtext>NH</mtext></mrow><mrow><mtext>3</mtext></mrow></msub></mrow></msub></math></span>) and Faradaic efficiency (\u0000\t\t\t\t<span><math><msub><mrow><mtext>F</mtext></mrow><mrow><msub><mrow><mtext>NH</mtext></mrow><mrow><mtext>3</mtext></mrow></msub></mrow></msub></math></span>). However, conventional experimental methods for screening high-activity NORR catalysts often entail high resource consumption and time costs. Machine learning combined with SHAP feature analysis was employed to establish a stacked ensemble model that integrates multiple algorithms, to allow for a systematic investigation of the key descriptors governing NORR performance based on an experimental dataset. Evaluation of eight model algorithms revealed that the Stacked-SVR model achieved an R<sup>2</sup> of 0.9223 and an RMSE of 0.0608 for predicting \u0000\t\t\t\t<span><math><msub><mrow><mtext>Y</mtext></mrow><mrow><msub><mrow><mtext>NH</mtext></mrow><mrow><mtext>3</mtext></mrow></msub></mrow></msub></math></span> on the test set, whereas the Stacked-RF model achieved an R<sup>2</sup> of 0.9042 and an RMSE of 0.0900 for predicting \u0000\t\t\t\t<span><math><msub><mrow><mtext>F</mtext></mrow><mrow><msub><mrow><mtext>NH</mtext></mrow><mrow><mtext>3</mtext></mrow></msub></mrow></msub></math></span>. The stacked ensemble model integrates the strengths of individual algorithms and demonstrates strong NORR prediction performance while avoiding overfitting. SHAP feature analysis results revealed that the Cu content in the catalyst composition has the most significant impact on catalytic performance. Moreover, the combination of the wet chemical reduction synthesis, a carbon fiber (CF) conductive substrate, and HCl electrolyte is more favorable for enhancing catalytic activity. Additionally, moderately lowering the working potential, controlling the electrolyte volume at low to medium levels, reducing catalyst loading, and increasing electrolyte concentration were found to synergistically enhance both \u0000\t\t\t\t<span><math><msub><mrow><mtext>Y</mtext></mrow><mrow><msub><mrow><mtext>NH</mtext></mrow><mrow><mtext>3</mtext></mrow></msub></mrow></msub></math></span> and \u0000\t\t\t\t<span><math><msub><mrow><mtext>F</mtext></mrow><mrow><msub><mrow><mtext>NH</mtext></mrow><mrow><mtext>3</mtext></mrow></msub></mrow></msub></math></span>.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250225"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
燃料化学学报Pub Date : 2026-04-01Epub Date: 2026-04-16DOI: 10.1016/S1872-5813(25)60629-3
Jiao LI , Jing ZHAO , Yiming WANG , Wenhai ZHAO , Yizhuo CHAI , Xiaochao ZHANG
{"title":"Enhancing photocatalytic CO2 reduction with Z-scheme heterojunction Ag/Bi2MoO6/BiOBr composite films: Synthesis and mechanistic insights","authors":"Jiao LI , Jing ZHAO , Yiming WANG , Wenhai ZHAO , Yizhuo CHAI , Xiaochao ZHANG","doi":"10.1016/S1872-5813(25)60629-3","DOIUrl":"10.1016/S1872-5813(25)60629-3","url":null,"abstract":"<div><div>This study presents the successful synthesis of a novel Z-scheme heterojunction composite film consisting of Ag/Bi<sub>2</sub>MoO<sub>6</sub>/BiOBr through electrochemical processes and ion-exchange techniques, followed by the photodeposition of noble metal silver (Ag) onto the composite structure. The catalytic efficiency of semiconductor photocatalysts is greatly improved by utilizing the localized surface plasmon resonance (LSPR) effect observed in Ag nanoparticles (NPs). Furthermore, the noble metal Ag serves as an intermediary bridge facilitating charge transfer between Bi<sub>2</sub>MoO<sub>6</sub> and BiOBr, while the formation of a Schottky barrier effectively inhibits the recombination of photo-generated electron-hole pairs. As a result, the Ag-deposited Bi<sub>2</sub>MoO<sub>6</sub>/BiOBr film exhibits superior photocatalytic performance in the reduction of CO<sub>2</sub> compared to its unmodified counterpart. Our experimental results indicate a non-linear relationship between Ag deposition and the efficiency of photocatalytic CO<sub>2</sub> reduction to CO, characterized by an initial increase in efficiency followed by a decline. The optimized 1.5%-Ag/Bi<sub>2</sub>MoO<sub>6</sub>/BiOBr film demonstrates exceptional photocatalytic activity, attaining a CO production rate of 13.65 μmol/(g·h). This research explores the fundamental mechanisms that lead to improved photocatalytic CO<sub>2</sub> reduction capabilities of the Ag/Bi<sub>2</sub>MoO<sub>6</sub>/BiOBr film. Our research offers important perspectives for the thoughtful design and production of highly efficient photocatalysts, which are essential for advancing sustainable energy solutions.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 4","pages":"Article 20250226"},"PeriodicalIF":0.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147685575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}