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Experimental and simulation study of H2 crossover in PEM water electrolysis for high-pressure hydrogen production up to 20 MPa

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International Journal of Hydrogen Energy 2025年 135卷 499-506页

作者： Wu, Jiazhe Zhang, Guoao Dong, Boyu Chang, Yuhao Chen, Yubin International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi 710049 China

High-pressure proton exchange membrane (PEM) water electrolysis offers considerable advantages, particularly in enabling direct integration with hydrogen storage and transportation systems while eliminating the need for external mechanical compressors. However, H2 crossover is a bottleneck that induces high H2-in-O2 content and low overall efficiency during high-pressure PEM water electrolysis. This study investigates H2 crossover in PEM water electrolysis by combining in situ measurements and numerical simulations over a differential pressure range of 0–20 MPa. A linear correlation was observed between hydrogen crossover and current density within the range of 0–1 A cm−2. The cathodic hydrogen mass transfer coefficient was determined to range from 1.6 to 3.2 mm s−1, and the hydrogen solubility was estimated as 1.1 × 10−3 mmol m−3 Pa−1. The results highlight the importance of optimizing mass transfer and reducing hydrogen solubility within the cathode catalyst layer to mitigate H2 crossover during high-pressure PEM water electrolysis. © 2025 Hydrogen Energy Publications LLC

关键词： Diffusion in solids

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Lattice-mismatch-induced formation of defect-rich Pd-Cu alloy nanocages for enhanced formic acid oxidation activity

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Science China Chemistry 2025年第2期68卷 481-491页

作者： Zhaojun Liu Zhengyan Wang Zhaoyu Wang Hao Yuan Yuke Bai Xiaoxiao Wang Zerui Mu Chunxia Wu Kai Liu Zhun Hu Chuanbo Gao Sate Key Laboratory of Multiphase Flow in Power Engineering Frontier Institute of Science and TechnologyXi’an Jiaotong UniversityXi’an 710049China Institute of Industrial Catalysis School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an 710049China

Crystallographic defects in noble metal nanocrystals are recognized as highly active catalytic sites,significantly enhancing activities in many important *** their importance,synthesizing noble metal nanocrystals with a high density of defects poses a considerable synthetic ***,we present a novel lattice mismatch-induced formation mechanism to create high-density defects in noble metal *** approach takes advantage of lattice mismatch to enable nonepitaxial nucleation and growth of a noble metal on a foreign metal substrate,forming abundant noble metal crystallites with random lattice orientations not dictated by the substrate *** these crystallites grow extensively,they merge,forming numerous grain boundaries and yielding defect-rich noble metal ***-rich alloy nanocrystals can also be synthesized through a subsequent vacancy-diffusion alloying *** take defective PdCu alloy nanocages as an example and demonstrate the effectiveness of crystallographic defects in enhancing catalytic performance of noble metal *** nanocages exhibit superior activity in the electrocatalytic formic acid oxidation reaction,which is 1.6 times greater than their defect-free *** strategy offers a new avenue for creating defect-rich noble metal nanocrystals as highly efficient catalysts for a wide array of catalytic applications.

关键词： noble metal nanocrystals defects non-epitaxial growth electrocatalysis formic acid oxidation reaction

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BiOI晶体缺陷工程提升光催化CO2到C2产物转化性能（英文）

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Science China Materials 2025年第5期68卷 1561-1569页

作者：黄富霞刘一菲王峰刘亚郭烈锦 International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong University

BiOI材料在光催化CO2还原领域展现出巨大潜力,但其较弱的CO2的活化能力与较差的载流子分离效率严重制约了光催化转化效率.本研究通过构建富含丰富晶体缺陷的BiOI基光催化剂有效地提高了其光催化性能.结合X射线衍射、拉曼、和高分辨透射... 详细信息

BiOI材料在光催化CO2还原领域展现出巨大潜力,但其较弱的CO2的活化能力与较差的载流子分离效率严重制约了光催化转化效率.本研究通过构建富含丰富晶体缺陷的BiOI基光催化剂有效地提高了其光催化性能.结合X射线衍射、拉曼、和高分辨透射电子显微镜表征,证实了BiOI-LD和BiOI-TC催化剂中分别存在晶格畸变和孪晶结构缺陷.紫外-可见光谱、微孔与化学吸附分析,以及光致发光光谱表征结果表明,晶体缺陷的引入显著增强了光催化剂的光吸收能力、CO2吸附能力、载流子传输效率及寿命.电子顺磁共振光谱进一步证实BiOI-TC中超氧自由基的生成量显著提升,表明晶体缺陷构筑有效增强了催化剂表面反应活性.因此, BiOI-TC催化剂实现了6.2μmol g-1h-1的CH3CH2OH生成速率,且选择性达到100%.通过原位FTIR研究识别了生成CH3CH2OH的关键中间体（*CO、*COCO、*CHO和*CH2）,并揭示BiOI-LD中C2H6的生成与*CH3中间体的形成密切相关.

关键词： photocatalysis CO2 reduction BiOI crystal defects CH3CH2OH C2H6

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Defect-engineered WO_(x)/ZnIn_(2)S_(4)Z-scheme heterojunction boosting photocatalytic H_(2)production via photothermal coupling

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Journal of Energy Chemistry 2025年第4期103卷 9-18页

作者： Biao Wang Chunyang Zhang Shidong Zhao Shujian Wang Feng Liu Kejian Lu Yitao Si Maochang Liu International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringSchool of Energy and Power EngineeringXi’an Jiaotong UniversityXi’an 710049ShaanxiChina School of Chemistry and Chemical Engineering Southeast UniversityNanjing 211189JiangsuChina Suzhou Academy of Xi’an Jiaotong University Suzhou 215123JiangsuChina

Recent interest in photocatalytic water splitting has intensified the demand in the development of photocatalysts capable of harnessing the full *** study introduces a novel WO_(x)/ZnIn_(2)S_(4)Zscheme heterojunction,prepared by depositing ZnIn_(2)S_(4)(ZIS)nanosheets onto WO_(x)nanorods,enabling efficient photothermal-coupled photocatalytic H_(2)*** success relies on the engineered oxygen vacancies within WO_(x)nanorods,which not only confer excellent photothermal properties lowering the reaction barrier but also create defect levels in WO_(x)facilitating Z-scheme electron transfer from these levels to the valence band of ***,the optimized WO_(x)/ZIS heterojunction exhibits a remarkable H_(2)evolution rate of 33.91 mmol h^(-1)g^(-1)with an apparent quantum efficiency of 23.6%at 400 *** study provides a new strategy for developing efficient Z-scheme heterojunctions with broadspectrum solar hydrogen production capabilities.

关键词： Defect-engineered Z-scheme heterojunction Photocatalytic H2evolution Photothermal coupling

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Concurrently Boosting Activity and Stability of Oxygen Reduction Reaction Catalysts via Judiciously Crafting Fe-Mn Dual Atoms for Fuel Cells

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Nano-Micro Letters 2025年第4期17卷 275-289页

作者： Lei Zhang Yuchen Dong Lubing Li Yuchuan Shi Yan Zhang Liting Wei Chung-Li Dong Zhiqun Lin Jinzhan Su International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049People’s Republic of China Department of Physics Tamkang UniversityNew Taipei CityTaiwan 25137People’s Republic of China Department of Chemical and Biomolecular Engineering National University of SingaporeEngineering Drive 4Singapore 117585Singapore

The ability to unlock the interplay between the activity and stability of oxygen reduction reaction(ORR)represents an important endeavor toward creating robust ORR catalysts for efficient fuel ***,we report an effective strategy to concurrent enhance the activity and stability of ORR catalysts via constructing atomically dispersed Fe-Mn dualmetal sites on N-doped carbon(denoted(FeMn-DA)-N-C)for both anion-exchange membrane fuel cells(AEMFC)and proton exchange membrane fuel cells(PEMFC).The(FeMn-DA)-N-C catalysts possess ample dual-metal atoms consisting of adjacent Fe-N_(4)and Mn-N_(4)sites on the carbon surface,yielded via a facile doping-adsorption-pyrolysis *** introduction of Mn carries several advantageous attributes:increasing the number of active sites,effectively anchoring Fe due to effective electron transfer to Mn(revealed by X-ray absorption spectroscopy and density-functional theory(DFT),thus preventing the aggregation of Fe),and effectively circumventing the occurrence of Fenton reaction,thus reducing the consumption of ***(FeMn-DA)-N-C catalysts showcase half-wave potentials of 0.92 and 0.82 V in 0.1 M KOH and 0.1 M HClO_(4),respectively,as well as outstanding *** manifested by DFT calculations,the introduction of Mn affects the electronic structure of Fe,down-shifts the d-band Fe active center,accelerates the desorption of OH groups,and creates higher limiting *** AEMFC and PEMFC with(FeMn-DA)-N-C as the cathode catalyst display high power densities of 1060 and 746 mW cm^(-2),respectively,underscoring their promising potential for practical *** study highlights the robustness of designing Fe-containing dual-atom ORR catalysts to promote both activity and stability for energy conversion and storage materials and devices.

关键词： Doping-adsorption-pyrolysis Dual-atom catalysts Oxygen reduction reaction Fuel cells

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Effect of H 2 /CO ratio on non-isothermal reduction behavior and kinetics of vanadium titanomagnetite

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International Journal of Hydrogen Energy 2025年 139卷 69-79页

作者： Jian Shi Qiang Xu Xuyang Lu Zeshui Cao Haopeng Kang Bin Chen Liejin Guo State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China

Hydrogen-based direct reduction of vanadium titanomagnetite is crucial for developing clean and efficient hydrogen metallurgy technology, while existing studies lack systematic research on the impact of H 2 /CO ratios on the reduction of vanadium titanomagnetite under non-isothermal conditions. This study examines the influence of varying H 2 /CO ratios on the non-isothermal reduction behavior and kinetics of vanadium titanomagnetite through thermogravimetric analysis (TGA). The results of thermogravimetric experiments show that raising the H 2 ratio can significantly lower the initial reduction temperature and accelerate the reduction rate. When H 2 /(H 2 +CO) rises from 0 to 1, the initial reduction temperature can be lowered by around 150 °C at a heating rate of 10 °C/min. As the heating rate decreases, the reduction curve shifts to the low-temperature region, and the reduction reaction becomes easier to proceed. The vanadium titanomagnetite reduction activation energy was calculated using the Kissinger-Akahira-Sunose (KAS) and Flynn-Wall-Ozawa (FWO) model-free kinetic methods, and the activation energy of vanadium titanomagnetite reduction under pure CO atmosphere (H 2 /(H 2 + CO) = 0) was the highest (120.74 kJ/mol by FWO and 107.82 kJ/mol by KAS). As the H 2 /(H 2 +CO) ratio increases, the activation energy continuously decreases, effectively reducing the reduction energy barrier of vanadium titanomagnetite. In contrast to an environment of pure CO, the activation energy for the reduction of vanadium titanomagnetite was reduced by 25.47 % (FWO method) or 28.73 % (KAS method) in a pure H 2 atmosphere (H 2 /(H 2 + CO) = 1), indicating that an elevated H 2 ratio significantly enhanced the reduction of vanadium titanomagnetite. XRD analysis showed that, after the non-isothermal reduction, unreduced iron oxide was still present within the vanadium titanomagnetite under a pure CO atmosphere, while the final reduction product was mainly metallic iron under differen

关键词： Activation energy

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A brief review of preparation and applications of monolithic aerogels in atmospheric environmental purification

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Journal of Environmental Sciences 2025年第3期149卷 209-220页

作者： Linfeng Nie Shuangde Li Mengjie Cao Ning Han Yunfa Chen State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China Key Laboratory of Science&Technology on Particle Materials Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Monolithic aerogels are promising candidates for use in atmospheric environmental purification due to their structural advantages,such as fine building block size together with high specific surface area,abundant pore structure,***,monolithic aerogels possess a unique monolithic macrostructure that sets them apart from aerogel powders and nanoparticles in practical environmental clean-up *** review delves into the available synthesis strategies and atmospheric environmental applications of monolithic aerogels,covering types of monolithic aerogels including SiO_(2),graphene,metal oxides and their combinations,along with their preparation *** particular,recent developments for VOC adsorption,CO_(2)capture,catalytic oxidation of VOCs and catalytic reduction of CO_(2)are ***,challenges and future opportunities for monolithic aerogels in the atmospheric environmental purification field are *** reviewprovides valuable insights for designing and utilizing monolithic aerogel-based functional materials.

关键词： Monolithic aerogel Environmental purification Catalysis Adsorption

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Performance and Sizes of sCO_(2)Multistage Axial Compressors at Various Power Capacities

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Journal of Thermal Science 2025年第2期34卷 352-373页

作者： WANG Tianze XU Jinliang ZHENG Haonan QI Jianhui Beijing Key Laboratory of Multiphase Flow and Heat Transfer for Low Grade Energy Utilization North China Electric Power UniversityBeijing100026China Key Laboratory of Power Station Energy Transfer Conversion and System(North China Electric Power University) Ministry of EducationBeijing102206China School of Energy and Power Engineering Shandong UniversityJi’nan250061China

The supercritical carbon dioxide(sCO_(2))cycle can be powered by traditional as well as clean *** help users obtain more accurate results than the literatures with pre-set compressor efficiency,we proposed a complete model to establish a link between the performance,sizes of compressors and parameters such as power W_(C),inlet temperature T_(in),inlet pressure P_(in)and pressure ratioε.Characteristic sizes of compressors l_(c),profile loss Y_(p)and clearance loss Ycl are all proportional to powers of W_(C)with powers of 0.5,-0.075 and-0.5 to 0 respectively;the scaling laws are constant in the range of capacities from 20 MW to 200 *** compressor isentropic efficiencyη_(tt)grows as the W_(C)increases,and the curves become *** efficiency improves over the full power range when the speed is changed from standard speed to the optimal speed;theη_(tt)curves turn soft as the n *** the P_(in)and T_(in)approach the critical point,theη_(tt)*** efficiency follows a parabolic curve as theεincreases,this parabolic distribution results from the tradeoff between the change in losses and the pressure distribution of ***η_(tt)versus P_(in),T_(in)andεrelations are similar at various capacities because of insignificant changes in the distribution of *** efficiency maps facilitate the estimation of system performance,while scaling law for irreversible losses and characteristic lengths,along with constant criterion analyses,aid in comprehending the characteristics of compressors across various capacities.

关键词： sCO_(2)cycle compressor efficiency irreversible losses scaling laws

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Multi-objective optimization of 200 kW air centripetal turbine based on artificial neural networks

International Journal of Advanced Nuclear Reactor Design and...

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International Journal of Advanced Nuclear Reactor Design and Technology 2025年第2期7卷 70-80页

作者： Zideng Wang Yan Zhang Yuyang Leng Jiabao Lai Zhenzhen Wang Weixiong Chen State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 PR China

The air-Brayton cycle has the characteristics of safety and high efficiency, which can be used as an energy conversion system for mobile small reactors. The air turbine is one of the key components in the cycle system, and improving its performance is of great significance. In this paper, an artificial neural network model combined with a genetic algorithm was used to optimize the rotor of an air centrifugal turbine with axial thrust and efficiency as the objective. The results show that the artificial neural network model can fit the CFD numerical simulation results well, with a coefficient of determination larger than 0.97. Then, after optimizing the artificial neural network model with a genetic algorithm, the total -total efficiency of the air centrifugal turbine was improved by 1.479 %, while the axial thrust was reduced by 1.07 %.

关键词： Artificial neural network Air centrifugal turbine Multi-objective optimization Axial thrust

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Performance comparison investigation on different pulse tube position heat pumps with power recovery displacer

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International Journal of Refrigeration 2025年 176卷 1-16页

作者： Zhu, Shenglin Chen, Xi Zhu, Yifan Qi, Yingxia School of Energy and Power Engineering University of Shanghai for Science and Technology 516 Jungong Road Shanghai200093 China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering University of Shanghai for Science and Technology 516 Jungong Road Shanghai200093 China

Spacecraft waste heat is dissipated into space primarily by radiation. To improve the heat dissipation efficiency of spacecraft radiators in high-temperature environments and reduce heat wastage in spaceflight thermal control systems, thermoacoustic heat pumps (TAHP) are considered a viable method for increasing radiator cooling temperatures and recovering waste heat. In this study, one-dimensional simulations are used to optimize the geometrical parameters of the 100-watt work recovery thermoacoustic heat pump (WRTAHP) for various pulse tube positions. The performances of the two systems are compared at a cold-end temperature of 293 K and a hot-end temperature of 353 K. The results reveal that a heating capacity of 256 W with a relative Carnot efficiency of 35.01 % is achieved for the pulse tube front-type thermoacoustic heat pump (FTTAHP), whereas the pulse tube back-type thermoacoustic heat pump (BTTAHP) obtains a heating capacity of 225 W with a relative Carnot efficiency of 30.59 %. As the cold-end temperature decreases, the coefficient of performance is reduced for FTTAHP, while the performance of BTTAHP shows a substantial improvement. At a cold end temperature of 233 K and a hot-cold end temperature difference of 60 K, a heating capacity of 268 W with a relative Carnot efficiency of 50.57 % is achieved for BTTAHP. Furthermore, the heating capacity of the BTTAHP is not significantly increased by adopting the active phase adjustment structure. In summary, the FTTAHP is suitable for spacecraft radiator applications and avoids high temperatures affecting compressor operation, whereas the BTTAHP is better suited for low-temperature heating. © 2025 Elsevier Ltd and IIR

关键词： Waste heat utilization

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