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Constructing highly-dispersed Cu active sites at ZnFe-LDHs nanosheets for efficient hydrogenation of furfural

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135277

Jiajian Li , Huajing Zhou , Lingxiang Zhao , Rongrong Miao , Zilian Liu , Tianding Hu , Shaoyun Shan , Yanqing Shi , Liang He

{"title":"Constructing highly-dispersed Cu active sites at ZnFe-LDHs nanosheets for efficient hydrogenation of furfural","authors":"Jiajian Li , Huajing Zhou , Lingxiang Zhao , Rongrong Miao , Zilian Liu , Tianding Hu , Shaoyun Shan , Yanqing Shi , Liang He","doi":"10.1016/j.fuel.2025.135277","DOIUrl":"10.1016/j.fuel.2025.135277","url":null,"abstract":"<div><div>Optimizing the geometry and local electronic density of the Cu active sites with high surface energy is the key to improving the catalytic furfural (FF) selective hydrogenation activity. In this paper, a ZnFe-LDHs supported low-loading (4.53 %) Cu-based catalyst (S-Cu/ZnFe) was synthesized <em>via</em> laminate-metal replacement strategy. The catalytic experimental results showed that the S-Cu/ZnFe exhibited excellent activity and selectivity for hydrogenating FF to furfuryl alcohol (FOL). A ∼100 % conversion of FF and >97 % of FOL yield could be achieved in only 20 min at 170 °C, and the TOF could reach 127.23 h<sup>−1</sup>, which was much higher than most of the reported Cu-based catalysts. The characterization results showed that compared with the surface-loaded catalyst (L-Cu/ZnFe), the interwoven lamellar structure of Zn/Fe-O octahedra in S-Cu/ZnFe not only dispersed and stabilized the Cu nanosites, but also achieved the local valence electron transfer through Fe-O-Cu bonds (i.e., metal–oxygen bridges) and thus promoting the accumulation of highly-reactive Cu<sup>+</sup> sites. In addition, the presence of oxygen vacancies with positively-charged facilitated both the <sub>*</sub>H hopping and the FF selectively-adsorbing on S-Cu/ZnFe surface. In conclusion, the laminate-metal replacement strategy proposed in this paper enables the simple preparation of low-loading and highly-dispersed Cu-based catalysts, which provides a catalyst design basis for efficient hydrogenation of FF and similar carbonyl compounds.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135277"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rare earth metal promoters (La, Ce, Nd, Sm) on nickel-supported Al2O3 catalysts for ammonia decomposition

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135272

Mohammad Usman , Ahsan Ali , Abdesslem Jedidi , Afnan Ajeebi , Mohammad Mozahar Hossain , Khalifa M. Yau , Huda Alghamdi , Md. Abdul Aziz , M. Nasiruzzaman Shaikh

{"title":"Rare earth metal promoters (La, Ce, Nd, Sm) on nickel-supported Al2O3 catalysts for ammonia decomposition","authors":"Mohammad Usman , Ahsan Ali , Abdesslem Jedidi , Afnan Ajeebi , Mohammad Mozahar Hossain , Khalifa M. Yau , Huda Alghamdi , Md. Abdul Aziz , M. Nasiruzzaman Shaikh","doi":"10.1016/j.fuel.2025.135272","DOIUrl":"10.1016/j.fuel.2025.135272","url":null,"abstract":"<div><div>Ammonia is the 2<sup>nd</sup> most widely produced chemical, storing 17.6 wt% of hydrogen, but the economic generation of hydrogen from it needs a more affordable solution. Hence, replacing precious metals, such as ruthenium (Ru), with inexpensive nickel (Ni) is desirable. In this study, a series of rare-earth metals (La, Ce, Nd and Sm) promoted nickel nanoparticles supported on alumina (Al<sub>2</sub>O<sub>3</sub>) have been investigated for ammonia decomposition. Here, 3, 5 and 10 % promoters loaded on 50 wt% Ni on Al<sub>2</sub>O<sub>3</sub> have been prepared and characterized by XRD, SEM, TEM, BET, H<sub>2</sub>-TPR and XPS. HRTEM and elemental mapping reveal a homogeneous distribution of La-promoters on the surface of Ni nanoparticles with an average size within a narrow range of 31 nm. Catalyst 5%La/Ni/Al<sub>2</sub>O<sub>3</sub> demonstrates 90 % ammonia decomposition activity at 500 ℃, outperforming the 5%Ce/Ni/Al<sub>2</sub>O<sub>3</sub> under the optimized gas hourly speed velocity (GHSV) of 20,400 mL/g<sub>cat</sub>/h. respectively. The impact of promoters on 50%Ni/Al<sub>2</sub>O<sub>3</sub> can be established as 5%La > 5%Ce > 5%Sm > 5%Nd catalyst. Optimizing 5%La loaded catalyst showed better catalytic activity than 10%La in terms of ammonia decomposition. The 5%La/Ni/Al<sub>2</sub>O<sub>3</sub> and 5%Ce/Ni/Al<sub>2</sub>O<sub>3</sub> catalysts retained their stability for an extended period of time (65 h). The experimental findings are substantiated by first-principles density functional theory (DFT) calculations, which provide insights into the catalytic reaction pathway. The results demonstrate that the incorporation of La into the Ni(111) surface significantly reduces the activation energy for NH<sub>3</sub> dissociation, thereby promoting enhanced catalytic efficiency for ammonia cracking.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135272"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Machine learning for predicting methane production and optimizing parameter in anaerobic digestion process

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135206

Li Liu , Yajun Tian , Jinghao Zhao , Zongji Xia , Nana Wang , Dongmei Wang

{"title":"Machine learning for predicting methane production and optimizing parameter in anaerobic digestion process","authors":"Li Liu , Yajun Tian , Jinghao Zhao , Zongji Xia , Nana Wang , Dongmei Wang","doi":"10.1016/j.fuel.2025.135206","DOIUrl":"10.1016/j.fuel.2025.135206","url":null,"abstract":"<div><div>Anaerobic digestion methane production is an important chemical means of waste recycling. Although the process route has been mature, there are still some difficultie, such as complex construction process, many variables, and difficult to find the influence law of the process parameters. Because traditional anaerobic digestion modeling is complex, the production volume can be predicted just and the influence mechanism of raw material characteristics and process parameters of the product is not clear. Accurate prediction of methane production and optimization of reaction process parameters are essential for the understanding the reaction mechanisms and optimizing the process parameters of anaerobic digestion process. Using Machine learning can skip the tedious process and select key features directly to predict methane production. In this work, First, model ADM1 as a relatively accurate anaerobic digestion prediction model, it provides data set for machine learning, addreses data quality and data quantity in anaerobic digestion process. Then,different machine learning algorithms were used to predict methane production and optimize process parameters. Finally, the most suitable machine learning algorithm for predicting the anaerobic digestion process was found. Using LightGBM and BPNN both can achieve more than 98% accuracy in predicting methane production and optimizing process parameters,. shortening the reaction time step, more accurate results can be obtained for LightGBM and BPNN. This work is a successful application of machine learning to anaerobic digestion processes. Applying AI can solve the common problems of energy production process and provide new ideas for the development of smart energy and smart engineering.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135206"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792698","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effects of foam alumina porous media on methane/air explosion flames: A combined study of X-ray CT scanning-based image reconstruction and three-dimensional pore-level simulations 泡沫氧化铝多孔介质对甲烷/空气爆炸火焰的影响：基于 X 射线 CT 扫描的图像重建和三维孔隙模拟的综合研究

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135203

Shoutong Diao , Haitao Li , Xinsheng Jiang , Chaozhong Qin , Minggao Yu , Chi-Min Shu

{"title":"Effects of foam alumina porous media on methane/air explosion flames: A combined study of X-ray CT scanning-based image reconstruction and three-dimensional pore-level simulations","authors":"Shoutong Diao , Haitao Li , Xinsheng Jiang , Chaozhong Qin , Minggao Yu , Chi-Min Shu","doi":"10.1016/j.fuel.2025.135203","DOIUrl":"10.1016/j.fuel.2025.135203","url":null,"abstract":"<div><div>Excavating the performance and mechanism of porous media on explosion flames is crucial for developing efficient flame arresters. To achieve high-fidelity insights, this study uniquely employs X-ray CT scanning-based image reconstruction to precisely resolve the structural features of foam alumina porous media. By leveraging advanced numerical approaches, specifically the Flamelet Generated Manifold (FGM) combined with Artificial Thickened Flame (ATF) and Large Eddy Simulation (LES), we investigate the effects of pore density, thickness, and location of the foam alumina porous media on methane/air explosion flames. Our findings reveal that an increased pore density and greater thickness of the porous media significantly enhance flame-blocking effects, resulting in prolonged flame propagation duration and reduced propagation speed. Additionally, positioning the porous media farther from the ignition point leads to accelerated flame propagation. A oivotal discovery is that increases in pore density, thickness, and positioning intensify turbulence-flame interactions, which subsequently promote methane/air flame propagation by accelerating the elementary reactions of critical radicals. These results not only lay a foundation for optimizing flame suppression technologies in hazardous environments but also enhance the understanding of the role of porous media in safety–critical applications for explosion flame suppression.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135203"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Design and optimization of VSA process for post combustion carbon capture using NbOFFiVE-1-Ni

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135259

Qi Wang , Wenqi Yang , Xiubo Min , Shubo Wang , Guangyao Wang , Baogang Zhao , Lina Wang , Tianjun Sun

{"title":"Design and optimization of VSA process for post combustion carbon capture using NbOFFiVE-1-Ni","authors":"Qi Wang , Wenqi Yang , Xiubo Min , Shubo Wang , Guangyao Wang , Baogang Zhao , Lina Wang , Tianjun Sun","doi":"10.1016/j.fuel.2025.135259","DOIUrl":"10.1016/j.fuel.2025.135259","url":null,"abstract":"<div><div>Finding an efficient way to capture carbon dioxide in the exhaust gas is becoming ever more and more important. In this work, NbOFFIVE-1-Ni, a metal–organic framework (MOF) with moisture resistant, is synthesized in kg scale for designing and optimizing vacuum swing adsorption (VSA) process. The equilibrium adsorption isotherms and dynamic breakthrough experiment results showed that, adsorption amount at 0.1 bar can reach up to 2.0 mmol/g and the cyclic dynamic adsorption amount can be regenerated 85 % at 303 K and vacuum condition. The CO<sub>2</sub>/N<sub>2</sub> separation performance is also excellent where the breakthrough time of CO<sub>2</sub> is more than 51 times longer than N<sub>2</sub>, consisting with the high IAST selectivity, over 2200. On the basis of the proper isosteric heats of adsorption (Qst) value (45kJ•mol<sup>−1</sup>) and regeneration condition, two-bed and three-bed five step VSA processes were designed for further evaluating the influence on purity, recovery and adsorbent efficiency caused by the cyclic schedule and parameters in simulation process. The optimized results showed that, productivity and working capacity of NbOFFIVE-1-Ni are increased 65 % (180 L/L/h to 298 L/L/h) and 41 % (34 g/L to 48 g/L) with the purity and recovery over 95 vol% and 90 % which could completely meet the requests of DOE NETL. Office. In all, NbOFFIVE-1-Ni is capable to carbon capture excellently, and the appropriate design of cycle schedules and parameters can greatly improve the efficiency of adsorbents in the VSA process for post combustion carbon capture.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135259"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Constructing Ni2P/CoP heterojunction with stable built-in electric field to boost overall water splitting at industrial current density 构建具有稳定内置电场的 Ni2P/CoP 异质结，提高工业电流密度下的整体水分离能力

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135282

Tian Lin , Huimin Yang , Jianguo Dong , Chunmei Ni , Xuena Gao , Jing Li , Ju Wang , Xiaoyan He , Wenyi Tan , Ligang Feng , Zhao Li

{"title":"Constructing Ni2P/CoP heterojunction with stable built-in electric field to boost overall water splitting at industrial current density","authors":"Tian Lin , Huimin Yang , Jianguo Dong , Chunmei Ni , Xuena Gao , Jing Li , Ju Wang , Xiaoyan He , Wenyi Tan , Ligang Feng , Zhao Li","doi":"10.1016/j.fuel.2025.135282","DOIUrl":"10.1016/j.fuel.2025.135282","url":null,"abstract":"<div><div>Constructing a heterojunction with a robust built-in electric field (BIEF) for electrocatalytic water splitting remains a formidable challenge, resulting from component instability during the electrocatalysis process that prevents the interface electron from being continuously optimized. Herein, based on a ingenious design of the structure, the issues is dresses by fabricating a Ni<sub>2</sub>P/CoP-NF heterojunction through a simple two-step process. As an oxygen evolution reaction (OER) electrocatalyst, it demonstrates low overpotentials of 238 mV, 278 mV, and 347 mV at 50, 100, and 500 mA·cm<sup>−2</sup>, respectively, and also demonstrates excellent hydrogen evolution reaction (HER) performance in the same electolyte. DFT calculation and experimental results reveal that the BIEF in the Ni<sub>2</sub>P/CoP-NF promotes Co-O transformation into active site CoOOH in OER, while Co(OH)<sub>2</sub>, acting as the active site for HER, binds readily with H<sub>2</sub>O for effective H* formation, enhancing overall water-splitting activity. The Ni<sub>2</sub>P structure remains stable in the whole electrocatalysis process, acting solely as an electron pump to continuously optimize the electronic configuration of CoOOH and Co(OH)<sub>2</sub> at the interface, allowing Ni<sub>2</sub>P/CoP-NF to achieve durable, high bifunctional activity, maintaining stability for 300 h at 500 mA cm<sup>−2</sup>. This work offers an effective approach to addressing the challenge of continuous interface electron optimization impeded by the structural instability of heterojunction components for efficient, stable water-splitting at industrialcurrent density.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135282"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mechanistic study on the effect of benzenesulfonate position on the stability of sodium dodecylbenzene sulfonate-emulsified asphalt 苯磺酸位置对十二烷基苯磺酸钠乳化沥青稳定性影响的机理研究

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135242

Lingyun Kong , Mingzhou Yang , Haomin Wang , Yujun Wang , Yi Peng , Songxiang Zhu

{"title":"Mechanistic study on the effect of benzenesulfonate position on the stability of sodium dodecylbenzene sulfonate-emulsified asphalt","authors":"Lingyun Kong , Mingzhou Yang , Haomin Wang , Yujun Wang , Yi Peng , Songxiang Zhu","doi":"10.1016/j.fuel.2025.135242","DOIUrl":"10.1016/j.fuel.2025.135242","url":null,"abstract":"<div><div>The stability of emulsified asphalt is crucial for engineering applications, where the influence of emulsifiers on stability cannot be overlooked. However, most studies have focused on macroscopic approaches, with few investigating the mechanisms by which emulsifier isomers affect stability at the microscopic level. This study employs molecular dynamics simulations to elucidate further the mechanism by which emulsifier isomers influence the stability of emulsified asphalt on a microscopic scale. Specifically, the research examines the effects of varying sodium dodecylbenzene sulfonate (SDBS) concentration and the position of the benzenesulfonate along the alkyl chain of the SDBS molecule. The focus is on the configurations 4-1ΦC12S, 4-3ΦC12S, and 4-5ΦC12S. The analysis includes diffusion coefficients, interfacial formation energies, relative concentration distributions, and radial distribution functions. The simulation results reveal that 15 % of the 4-1ΦC12S emulsifier exhibits excellent migration ability, reducing interfacial tension and forming a stable interfacial film, thereby enhancing the stability of emulsified asphalt. In contrast, the “double-chain” structure of the 4-3ΦC12S and 4-5ΦC12S configurations causes spatial hindrance, restricting their activity and resulting in weak binding to water molecules. This weak adsorption at the oil–water interface leads to a less compact arrangement, thereby reducing the stability of the emulsified asphalt system. Overall, this microscopic study, utilizing molecular dynamics simulations, offers valuable insights for designing emulsifier molecular structures and enhancing the stability of emulsified asphalt. Moreover, the method can be applied to other emulsified asphalt systems, demonstrating significant potential for broader applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135242"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring water production dynamics in a Sabatier reactor: A comprehensive experimental investigation

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135298

Yu Chang Kim

{"title":"Exploring water production dynamics in a Sabatier reactor: A comprehensive experimental investigation","authors":"Yu Chang Kim","doi":"10.1016/j.fuel.2025.135298","DOIUrl":"10.1016/j.fuel.2025.135298","url":null,"abstract":"<div><div>In near space (e.g., the International Space Station), the Sabatier reaction is used to produce water and address shortages, while in deep space (e.g., Mars), it enables the production of methane as rocket propellant. This study focuses on the performance analysis of the Sabatier system for water generation, which converts carbon dioxide and hydrogen into water through a catalytic reaction. A catalyst-packed Sabatier reactor was designed, manufactured, and tested in water generation experiments under various operating conditions. For the first time, this experimental study analyzed the combined effects of total feed flow rate and molar flow rate ratio on water production and quality. A lower molar ratio (richer in carbon dioxide) increased the solubility of carbon dioxide in the produced water, leading to higher electrical conductivity and lower pH. Both the total feed flow rate and the molar ratio of reactants significantly affected conversion efficiency. Additionally, the study measured and analyzed temperature profiles within the Sabatier reactor over time and distance, as well as the concentration and flow rate of discharged gases. These results suggest that variations in reactant supply conditions, determined by available resources in the environment, would influence the quantity, quality, and conversion efficiency of the produced water. Consequently, Sabatier technology for water generation is poised to play a crucial role in expanding human activities in space and could become central to future space-related water technologies and businesses.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135298"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Smooth charge transfer at the Ag2MoO4/Mn-Fe PBAs S-scheme interface for photo-driven CO2 reduction

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-06 DOI: 10.1016/j.fuel.2025.135210

Lina Dai , Qiang Li , Xianglan Dong , Enqi Zhang , Yufeng Hu , Xin Guo , Yanduo Liu

{"title":"Smooth charge transfer at the Ag2MoO4/Mn-Fe PBAs S-scheme interface for photo-driven CO2 reduction","authors":"Lina Dai , Qiang Li , Xianglan Dong , Enqi Zhang , Yufeng Hu , Xin Guo , Yanduo Liu","doi":"10.1016/j.fuel.2025.135210","DOIUrl":"10.1016/j.fuel.2025.135210","url":null,"abstract":"<div><div>Photocatalysis exhibits great potential for applications in solving energy and environmental problems, and has received widespread attention. This article constructs a new type of Mn-Fe Prussian blue analogues S-scheme mechanism photocatalytic material. The material is composed of oxidized photocatalysts (Ag<sub>2</sub>MoO<sub>4</sub>) and reduced photocatalysts (Mn-Fe PBAs). The composite photocatalyst constructed in this way shows advantages such as a wide spectral response range, high charge carrier separation efficiency, and strong oxidation–reduction ability, which can significantly enhance photocatalytic efficiency. By studying the construction method and CO<sub>2</sub> reduction performance of the photocatalyst, the structure-performance relationship can be clarified. The CO production rate is 43.3 μmol/g/h, and the selectivity can reach 94.9 %, which is far superior to the current mainstream photocatalytic system. The electron transfer kinetics and S-scheme charge separation mechanism between the Mn-Fe PBAs and Ag<sub>2</sub>MoO<sub>4</sub> interfaces are explained by steady-state surface photovoltage spectroscopy (SS-SPS) and near ambient pressure XPS (NAP-XPS). In-situ DRIFTS techniques are used to monitor the changes of transition intermediates, and combined with theoretical calculations, the activation mechanism of CO<sub>2</sub> by the Mn-Fe catalytic site is deeply revealed at the atomic level. This study provides new theoretical guidance and profound insights for the construction of Prussian blue analogues photocatalysts.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"395 ","pages":"Article 135210"},"PeriodicalIF":6.7,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Construction of aspartic acid -Fe MOF derived Fe3O4@NC implanted on rGO as a remarkably efficient catalyst for the oxygen and hydrogen evolution reactions

IF 6.7 1区工程技术

Fuel Pub Date : 2025-04-06 DOI: 10.1016/j.fuel.2025.135249

Elham Soltani , Mohammad Bagher Gholivand , Avat Arman Taherpour , Mohammadsaleh Norouzibazaz , Mahin Mirzaei

{"title":"Construction of aspartic acid -Fe MOF derived Fe3O4@NC implanted on rGO as a remarkably efficient catalyst for the oxygen and hydrogen evolution reactions","authors":"Elham Soltani , Mohammad Bagher Gholivand , Avat Arman Taherpour , Mohammadsaleh Norouzibazaz , Mahin Mirzaei","doi":"10.1016/j.fuel.2025.135249","DOIUrl":"10.1016/j.fuel.2025.135249","url":null,"abstract":"<div><div>Expanding effective, affordable, and versatile electrocatalysts for water splitting to produce hydrogen fuel is a significant challenge. Herein, a composite based on iron (III) oxide @ N- doped carbon (NC) – reduced graphene oxide (Fe<sub>3</sub>O<sub>4</sub>@NC/RGO) was prepared using simultaneous pyrolyzing an aspartic acid/iron-based MOF and graphene oxide (Asp-Fe MOF/GO) nanocomposite. The synthesized Fe<sub>3</sub>O<sub>4</sub>@NC/RGO features a large active surface area and a well-dispersed arrangement of active sites, resulting in exceptional multifunctional properties for hydrogen and oxygen evolution reactions (HER and OER). It exhibits low overpotentials of 295 mV for OER and 105 mV for HER at a current density of 10 mA cm<sup>−2</sup> in 1 M KOH. The results indicate that the multifunctional properties of Fe<sub>3</sub>O<sub>4</sub>@NC/RGO, characterized by an abundance of active sites, excellent electrical conductivity, and an optimal electronic structure, are attributed to the synergistic effects of iron oxide, N-doped carbon, and reduced graphene oxide (RGO). This synergy enhances the electrocatalytic properties of the composites. The multifunctional qualities of the Fe<sub>3</sub>O<sub>4</sub>@NC/RGO composite make it highly desirable for various sustainable and renewable energy-related applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"395 ","pages":"Article 135249"},"PeriodicalIF":6.7,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0