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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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Unconventional energetics of small vacancy clusters in BCC high-entropy alloy Nb_(0.75)ZrTiV_(0.5)

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Journal of Materials Science & Technology 2023年第15期146卷 61-71页

作者： Tan Shi Xi Qiu Yundi Zhou Sixin Lyu Jing Li Dan Sun Qing Peng Yong Xin Chenyang Lu School of Nuclear Science and Technology Xi’an Jiaotong UniversityXi’an 710049China Nuclear Power Institute of China Chengdu 610213China State Key Laboratory of Nonlinear Mechanics Institute of MechanicsChinese Academy of SciencesBeijing 100190China School of Engineering Sciences University of Chinese Academy of SciencesBeijing 100049China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

The stability of small vacancy clusters including divacancy,trivacancy and tetravacancy has been studied in body-centered cubic high-entropy alloy Nb_(0.75)ZrTiV_(0.5) in structures of random solid solution and short-range order by first-principles calculations and molecular dynamics *** from conventional body-centered cubic metals,the tightly bound configurations have a lower structural stability and are not preferred energetically in the studied high-entropy *** of vacancy configurations leads to vacancy-atom exchanges that favor less compact *** formation energy of small vacancy clusters is much smaller than its constituent elements of Nb and V due to the large structural adjustment induced by severe local lattice *** difference in local lattice distortion and elemental arrangement in the vacancy neighborhood leads to significant site-to-site variation in vacancy cluster energy and *** formation energy has a strong correlation with the local energy state of the vacancy configuration and the extent of structural *** to random solid solution,the structure of short-range order has a higher stability for the most compact cluster configurations and tends to have higher vacancy cluster formation *** to classical molecular dynamics simulations of cluster diffusion at high temperature,the studied high-entropy alloy has a higher probability of cluster dissociation compared to Nb and *** unconventional energetics of small vacancy clusters is expected to have a profound impact on their generation,diffusion,dissociation,coalescence,as well as the defect microstructure evolution during irradiation.

关键词： Refractory high-entropy alloys Small vacancy clusters First-principles calculations Defect energetics Radiation defect evolution

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Investigation on the Parallel Computing Technique Using on the Numerical Simulation of Carbon Free Fuel 4

Investigation on the Parallel Computing Technique Using on t...

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4th International Conference on Information Science, Parallel and Distributed Systems, ISPDS 2023

作者： Wang, Weibin Wei, Xutao Xi'an Fanyi University Department of Computer Science Xi'an China Xi'an Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an China

ISBN: (纸本)9798350337181

The numerical simulation of the turbulent combustion is identified as one of the most promising methods on the designs of the combustion devices, for example: the internal combustion engine and gas turbine. This mainly depends on the development of parallel computing technique. However, the computational efficiency for different cases on different compute nodes and number of cores still needs to be studied. On the other hand, due to the requirements from the aim of peaking carbon dioxide emissions before 2030 and achieving carbon neutrality before 2060, modern energy system is requesting low carbon or carbon free fuels, such as ammonia (NH3). Therefore, the simulations of ammonia/air flame were performed in present investigation. The comparison between simulation cases on different compute nodes and number of cores illustrates that different cases requires different number of cores to achieve the best computational efficiency. The computational efficiency of each compute nodes are dissimilar, which can decrease the efficiency. Meanwhile, the methods in present study can predict the ammonia/air flames. The initial condition of velocity fluctuation is necessary for simulating turbulent flame. The wrinkles of the flames can be well predicted by the velocity fluctuation initial boundary condition. © 2023 IEEE.

关键词： Computational efficiency

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Heavy Metal Migration Characteristics of Co-Combustion between Sewage Sludge and High Alkaline Coal on Circulating Fluidized Bed

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Journal of Thermal Science 2022年第6期31卷 2178-2188页

作者： LI Yaode YANG Dong ZHOU Xihong DONG Le SUO Lihui SUN Wenbo State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi'an Jiaotong UniversityXi'an 710049China College of Energy&Power Engineering Northeast Electric Power UniversityJilin 132000China

The migration characteristics of heavy metals in co-combustion of sewage sludge and high alkali coal in circulating fluidized bed were studied by experiments and simulations. Temperature plays a crucial role in thermodynamic equilibrium distribution and migration characteristics of heavy metals. At the temperature range of 700℃-1200℃, Hg is completely gaseous and the proportion of Pb, Ni, and Cd in the gas phase is also high. As is mainly elemental in the system, and the proportion of Cr in the solid phase is large. Zn compounds are diverse and mostly solid materials. The volatility of Cu is not strong, and it will become gaseous when the temperature exceeds 1700℃. The proportion of heavy metals in the gas phase decreases as the excess air ratio increases. In an oxygen-rich atmosphere, most of Zn and Ni are converted to oxides;Pb and Cd are converted to crystalline silicate;Cu is converted to partial aluminate;Cr compound is decomposed to form Cr_(2)O_(3);they are good for the solidification and controlling of heavy metals. The elemental Hg is converted to HgCl_(2) and the elemental As is converted to AsCl_(3). Temperature also has a great influence on the volatilization rate of heavy metals. The higher the temperature, the shorter the time they reach the maximum volatility.

关键词： co-combustion heavy metal migration circulating fluidized bed sewage sludge high alkali coal

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Proposal design and thermodynamic analysis on a novel coal-based power generation system integrated with CO2 capture 3

Proposal design and thermodynamic analysis on a novel coal-b...

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3rd International Conference on Electrical Engineering and Mechatronics Technology, ICEEMT 2023

作者： Gao, Guobin Mu, Ruiqi Yang, Yali Yan, Lei Gao, Jun Liu, Ming Guoneng Jinjie Energy Co. Ltd Yulin China Xi'an Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an China

ISBN: (纸本)9798350303698

To enhance the energy efficiency and decrease the carbon emissions, a novel coal-based power generation system integrated with CO2 capture is proposed in this study. The S-CO2 cycle is integrated to recover the waster heat of system effectively. The heat transfer processes are well matched, and the irreversibility of heat exchangers in the system is reduced by splitting working medium appropriately. The system simulation and thermodynamic analysis models are developed. The energy and exergy efficiency of system are 51.32% and 50.07%, respectively. The system efficiency increases with the increase of the coal water slurry concentration (CWSC) and the decrease of the gasification temperature. When the CWSC is 35% and gasification temperature is 500 °C, the exergy efficiency of system reaches 51.74% and 50.59%, respectively. © 2023 IEEE.

关键词： Carbon dioxide

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Study on startup characteristics of prototype once-through steam generator for China fast reactor

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International Journal of Advanced Nuclear Reactor Design and Technology 2022年第1期4卷 26-35页

作者： Min, Xin Zhang, Dalin Xu, Rongshuan Wang, Shibao Chen, Youchun Wang, Chenglong Tian, Wenxi Qiu, Suizheng Su, G.H. State Key Laboratory of Multiphase Flow in Power Engineering Shaanxi Key Lab. of Advanced Nuclear Energy and Technology School of Nuclear Science and Technology Xi'an Jiaotong University Xi'an710049 China

Once-through steam generator (OTSG) is a vital heat transfer equipment of China Fast Reactor-600 (CFR-600), and its startup characteristics are of great importance to the safe operation of nuclear power plant. In this paper, first of all, the Thermal-hydraulic analysis Code Of Sodium heated once-through Steam generator (TCOSS) has been further optimized, and the code was introduced in the text. Secondly, the Steam Generator Test Facility (SGTF) and India Commercial Fast Breeder Reactor (CFBR) were selected for steady-state verification, and the feedwater flow rate increase condition of the prototype OTSG experiment was selected for transient verification. All the verifications were in good compliance, which proved the reliability of the TCOSS code for subsequent calculation of startup conditions. Finally, taking the prototype OTSG of CFR-600 as the research object, and the transient characteristics of cold startup and hot startup have been predicted and analyzed. The results show that both processes of cold startup and hot startup for prototype OTSG can be realized stably. The simulation results of startup processes showed a good agreement with expectations, which can provide support for the development of CFR-600 steam generator. © 2022 Xi'an Jiaotong University

关键词： Steam generators

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Supersonic shear layer characteristics of two fluids with a splitter plate

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International Journal of Advanced Nuclear Reactor Design and Technology 2021年 3卷 1-10页

作者： Bai, Yuping Hong, Yibo Zhao, Quanbin Chen, Weixiong Chong, Daotong State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

Supersonic shear layer development affects mixing between the primary and secondary fluids in a supersonic ejector substantially. The splitter plate plays a key role in shear layer development in the near-trailing-edge region. In this paper, supersonic shear layers with various splitter plate thicknesses are calculated and analyzed. Two types of instability modes are found when various splitter plate thicknesses are used. The shock wave strength and absolute unstable region determine the instability modes. Shock waves can limit instability development but an absolute unstable region promotes instability development. Velocity thickness growth rates are found to be the result of the merging process between two or more adjacent vortices in the transition region. The number of vortices that merge depends on the ratio of the vortex shedding and nature frequencies. The velocity thickness growth rates are larger under the local instability mode than under the global instability mode since three vortices merge under the former mode but two vortices merge under the latter. This study may provide a helpful reference for the design of supersonic ejectors. © 2021 Xi'an Jiaotong University

关键词： Vortex flow

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Plasma catalytic collaborative decomposition of methanol to hydrogen production

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International Journal of Hydrogen Energy 2025年 143卷 265-275页

作者： Shuming Li Erjiang Hu Geyuan Yin Zuohua Huang State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 People's Republic of China

A novel plasma-assisted methanol decomposition kinetic model is developed through experimental investigations which can reasonably predict the species concentration at different voltages. The methanol decomposition does not occur at 600 K without plasma, whereas it initiates at 450 K under plasma conditions. This is attributed to the new reactions between the high-energy electrons and Ar∗ with the methanol under the electric field. However, under plasma alone, H 2 selectivity is low as the formation of CH 3 , which decreases the fluxes of H-abstraction reactions, such as CH 2 OH + H CH 2 O + H 2 . With plasma-catalyst, 15 % increase in H 2 selectivity and 12 % increase in CH 3 OH conversion are achieved at 493 K and methanol tends to be converted more to CH 3 O than to CH 2 OH or CH 3 compared with plasma alone, which increases the CH 3 O adsorbed on the surface of catalyst, facilitating the chain reaction (CH 3 O→CH 2 O→CO + H 2 ) and inhibits the conversion of CH 3 O/CH 2 OH to CH 3 and CH 2 by plasma, and as a result, the CH 3 OH conversion rate and H 2 yield rate increase.

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Experimental Study on Non-Isothermal Mixing Characteristics of Water in T-Junction

Experimental Study on Non-Isothermal Mixing Characteristics ...

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2024 Academic Conference of China Instrument and Control Society, ACCIS 2024

作者： Liu, Shuhan Guo, Wencang Lei, Xianliang Yuan, Zhaojun Meng, Shuqi Jin, Desheng Xi'an Jiaotong University State Key Laboratory of Multiphase Flow Engineering Xian China China Nuclear Power Technology Research Institute Co. Ltd. Shen Zhen Guangdong China

ISBN: (纸本)9798350350326

T-junction is an essential component in piping system of various thermal systems. When hot and cold fluid mixing in the T-junction, several compound mechanisms (like turbulent mixing, turbulent penetration, fluid stratification) make the mixing characteristics more complex. To clearly reveal such mixing mechanism with non-isothermal fluids, an experimental study was conducted with Ultrasound Doppler Velocimetry (UDV) and fast-response thermocouples bundle. The results show that the local velocity uncertainty of the UDV is within 10%, the uncertainty of the thermocouple bundle is 0.5°C, and the response time is 66.7 ms. After verification, the mixing characteristics between the main and branch pipe under different momentum ratios and temperature differences were discussed. It is shown that as the momentum ratio decreases, the location of the most intense radial temperature fluctuations and velocity fluctuations shifts towards the lower wall. At the same time, the peak flow rate in the cross-section increases by 35.7% and the main branch fluid mixing is more homogeneous. As the temperature difference increases, the thermal stratification is more pronounced and the velocity fluctuation peak moves towards the upper wall of the pipe. © 2024 IEEE.

关键词： Thermocouples

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Noble-metal free plasmonic nanomaterials for enhanced photocatalytic applications—A review

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Nano Research 2022年第12期15卷 10268-10291页

作者： Jinghua Li Yiming Zhang Yalong Huang Bing Luo Li Jing Dengwei Jing International Research Center for Renewable Energy&State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an710049China School of Chemical Engineering and Technology Xi’an Jiaotong UniversityXi’an710049China

Plasmonic nanomaterial catalysis is currently at the frontier of photocatalysis,overcoming the limitations of wide bandgap semiconductors for light *** localized surface plasmon resonance(LSPR)properties allow broad ultraviolet-visible-near infrared ray(UV-vis-NIR)absorption,making it an ideal material for solar energy *** plasmonic nanostructures rely on precious *** noble metal plasmonic nanomaterials have proven to be one of the strategies for enhancing photocatalytic activity,their expensive cost and limitations in light absorption range have hindered their practical *** a result,noble-metal free plasmonic nanomaterials have risen to the top of the research priority ***,this paper reviews the fundamental principles and classification of the LSPR effect of noble-metal free plasmonic nanomaterials in photocatalytic and their recent applications in hydrogen generation,carbon dioxide reduction,and pollutant *** cases elucidate the possible working mechanism of enhanced photocatalysis by noble-metal free plasmonic ***,the challenges and future opportunities for noble-metal free plasmonic nanomaterials in energy conversion and storage are discussed and envisioned.

关键词： localized surface plasmon resonance(LSPR) noble-metal free plasmonic nanomaterials photocatalysis

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