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Tuning the local electronic structure of oxygen vacancies over copper-doped zinc oxide for efficient CO_(2) electroreduction

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eScience 2022年第5期2卷 518-528页

作者： Ke Wang Dongyu Liu Limin Liu Jia Liu XiaoFei Hu Ping Li Mingtao Li Andrey S.Vasenko Chunhui Xiao Shujiang Ding Xi'an Key Laboratory of Sustainable Energy Materials Chemistry School of ChemistryEnergy Storage Materials and Chemistry of Shaanxi University Engineering Research CenterXi'an Jiaotong University28 Xianning West RoadXi'an710049China International Research Center for Renewable Energy(IRCRE) State Key Laboratory of Multiphase Flow in Power Engineering(MFPE)Xi'an Jiaotong University28 Xianning West RoadXi'anShaanxi710049China HSE University 101000MoscowRussia College of Materials and Environmental Engineering Hangzhou Dianzi UniversityHangzhou310018PR China CNNC Shaanxi Uranium Enrichment Co. Ltd.HanzhongChina

Oxygen vacancies in metal oxides can serve as electron trap centers to capture CO_(2) and lower energy barriers for the electrochemical CO_(2) reduction reaction(CO_(2)RR).Under aqueous electrolytes,however,such charge-enriched active sites can be occupied by adsorbed hydrogen(H∗)and lose their effectiveness for the CO_(2)***,we develop an efficient catalyst consisting of Cu-doped,defect-rich ZnO(Cu–ZnO)for the CO_(2)RR,which exhibits enhanced CO Faradaic efficiency and current density compared to pristine *** introduced Cu dopants simultaneously stabilize neighboring oxygen vacancies and modulate their local electronic structure,achieving inhibition of hydrogen evolution and acceleration of the CO_(2)*** a flow cell test,a current density of more than 45mAcm^(−2) and a CO Faradaic efficiency of>80%is obtained for a Cu–ZnO electrocatalyst in the wide potential range of−0.76V to−1.06V *** Hydrogen Electrode(RHE).This work opens up great opportunities for dopant-modulated metal oxide catalysts for the CO_(2)RR.

关键词： CO_(2)electroreduction Oxygen vacancy Heteroatom doping Metal oxide catalysts

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Development, Validation and Application of Sub-Channel Thermal-Hydraulic Analysis Code for Liquid Metal Cooled Reactor

SSRN

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SSRN 2024年

作者： Wang, Jinshun Chen, Ronghua Liang, Yu Gui, Minyang Zhu, Xinyang Tian, Wenxi Qiu, Suizheng Su, Guanghui School of Nuclear Science and Technology Shaanxi Key Laboratory of Advanced Nuclear Energy and Technology State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an710049 China Nuclear Power Institute of China 328 Changshun Avenue Chengdu610213 China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of China Chengdu610213 China College of Nuclear Science and Technology Harbin Engineering University Harbin150001 China

The liquid metal reactor, specifically the lead-based fast reactor and the sodium-cooled fast reactor, are generally recognized as the most significant representatives of the Gen IV reactors due to their sustainability, economy, security and reliability. In order to conduct thermal-hydraulic safety analysis for liquid metal cooled fast reactors, adaptive improvements are made to the model and solution algorithms based on the sub-channel analysis method, and a Sub-channel Analysis Code Of Safety for Liquid Metal cooled Reactor (SACOS-LMR) is developed. The validation of SACOS-LMR is conducted using classic experimental data of liquid metal. The results show that the dimensionless temperature deviations of ORNL 19-pin test and Toshiba 37-pin test are within 10%, and the relative temperature deviations of KIT-KALLA 19-pin test are within 25%. These findings confirm the accuracy and reliability of SACOS-LMR in predicting the temperature distribution of liquid metal reactors. Ultimately, calculations conducted on the ALFRED lead-cooled fast reactor demonstrated the practical utility of the code and have certain guiding significance for its subsequent design and development. © 2024, The Authors. All rights reserved.

关键词： Liquid metals

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Experimental exploration of the effect of oxy-fuel combustion on ash deposition behavior of Zhundong high-alkali coal 7

Experimental exploration of the effect of oxy-fuel combustio...

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7th International Conference on power engineering, ICOPE 2019

作者： Sun, Ruijin Wang, Chang'an Zhao, Lei Wang, Chaowei Han, Tao Zhu, Chenzhao Liu, Yinhe Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an710049 China

Zhundong coalfield has a super-large reserve of coal resources. However, its high-alkali feature deteriorates the phenomenon of ash deposition and slagging in coal-fired boilers. Oxy-fuel combustion is a clean and efficient combustion technology, which promotes the efficient and clean utilization of high-alkali coals. While the ash deposition behaviors of high-alkali coals in oxy-fuel case are still unclear. This study compared the differences in morphology and element distribution of ash deposits between air and oxy-fuel conditions to reveal the ash deposition characteristics and mineral migration during oxy-fuel combustion of high-alkali coals. Experimental results showed that the ash deposits were less compact with less floc ash adhering to the ash particles during oxy-fuel combustion compared to air case. Besides, few sulphur, sodium, chlorine and calcium existed in the ash deposits in oxy-fuel combustion, which was constant with the fewer and weaker diffraction peaks of sodium chloride, sodium sulphate, anorthite and mullite under oxy-fuel condition. With the oxygen concentration increased, the intensity of sodium chloride diffraction peak is stronger. © ICOPE 2019 - 7th International Conference on power engineering, Proceedings. All rights reserved.

关键词： Coal

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Comparison of Lifetime Performance of Pemfc Stacks with Two Cooling Strategies Under Different Humidity

SSRN

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SSRN 2024年

作者： Yang, Yunjie Bai, Minli Zhou, Zhifu Wu, Wei-Tao Lv, Jizu Hu, Chengzhi Li, Yang Li, Yubai Song, Yongchen Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education Dalian University of Technology Dalian116024 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi’an710049 China School of Mechanical Engineering Nanjing University of Science and Technology Nanjing210094 China School of Mechanical Engineering Guangdong Ocean University Zhanjiang524088 China

While reducing the size and Pt loading can achieve a lower proton exchange membrane fuel cell (PEMFC) stack cost, it is also very important to focus on the performance changes of the PEMFC stack during the long-term operation. A 3D PtCo catalysts long-term performance model is established in this study, and PEMFC stacks with one cooling unit per cell (1-cell stack) and three cells (3-cell stack) are employed as the computational domains, respectively. The effective area of each cell is 50 cm2, and the changes in current density as well as effective catalytic area of PEMFC stacks with two cooling strategies before and after long-term operation under different humidity conditions are investigated at low Pt loadings. The results show that there are large differences in the output voltage and current density distributions between the three cells due to the poor membrane hydration affected by the non-uniform temperature distribution, although the 3-cell stack can significantly reduce the size. Localized catalyst degradation in both 3-cell and 1-cell stacks is closely related to the geometry of the cathodic flow field, and non-uniform catalyst degradation is found to increase the activation and mass transfer losses and change the distribution of current density within the membrane. In addition, the 3-cell stack is found to perform even better in terms of durability, especially under high humidity conditions, which provides a potential solution to improve the durability of PEMFC stacks operating in harsh conditions. © 2024, The Authors. All rights reserved.

关键词： Durability

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Effects of Combustor Wall Temperature on the Outer Recirculation Zone Combustion Modes Transition in Lean Premixed Dme/Air Swirl Flames

SSRN

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SSRN 2024年

作者： Lin, Wenjun Zhang, Weijie An, Zhenhua Wang, Jinhua Huang, Zuohua Zhang, Huangwei State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an710049 China Department of Mechanical Engineering National University of Singapore 9 Engineering Drive 1 Singapore117576 Singapore Department of Mechanical Engineering and Science Kyoto University Kyoto daigakuKatsura Nishikyo-ku Kyoto615-8540 Japan

In this study, the effects of wall thermal conditions on the ORZ combustion modes transition in the DME/air swirl flames are investigated using the Large Eddy Simulation (LES) and Flamelet Generated Manifold (FGM) method. The results show that the ORZ chemistry and temperature are highly sensitive to the wall thermal condition. Based on the correlation between the temperature and species observed in the time-averaged numerical results, the relation between the combustion mode and temperature in the ORZ is discovered. Through temporal analysis of species and heat release rate in the ORZ, the stable Mode II and Mode IV as well as the unstable Mode III are identified. The chemical reaction pathway analysis for typical probe in the ORZ reveals that different combustion modes undergo distinct (lowtemperature or high-temperature) chemical reaction pathways. Afterwards, the definition of combustion modes used in experiments is refined by utilizing the chemical reaction data from the simulations. And it is applied to identify the combustion mode across the entire computational domain. The results confirm the consistency between the combustion modes determined in experiments based on OH and CH2O and those determined in simulations using chemical reaction rates. Finally, this explains the mechanism of the flickering flame in Mode III is the competition between the low-temperature and high-temperature reaction in the ORZ. Whereas the unstable Mode III can be stabilized by changing the wall temperature to reach the Mode II or Mode IV. © 2024, The Authors. All rights reserved.

关键词： Temperature

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Transferring the available fused cyclic scaffolds for high—throughput combinatorial design of highly energetic materials via database mining

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Fuel 2022年第PartA期324卷

作者： Wen, Linyuan Yu, Tao Lai, Weipeng Liu, Maochang Wang, Bozhou Shi, Jinwen Liu, Yingzhe State Key Laboratory of Fluorine & Nitrogen Chemicals Xi'an Modern Chemistry Research Institute Xi'an710065 China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

Recently, the fused cyclic compounds have been the object of an increased interest in the field of energetic materials (EMs) due to the trade-off between energy and safety. Compared with the fused cyclic EMs consisting of the azoles or azines, the oxazole-based fused EMs which possibly possess higher energy–density are very lacking. Here, we proposed an efficient approach to design the highly energetic oxazole-based fused materials. The domain-related knowledge promoted an advanced database search for the aromatic oxazole-based scaffolds from the buyable subset of the ZINC20 database, ensuring scaffolds are available for purchase. Then, 171 target scaffolds were transferred into the EM field and cooperated with combinatorial design to construct a chemical space containing over 107 potential energetic molecules. The high-throughput screening was performed in four aspects, namely, density, difficulty of synthesis, detonation performance, and sensitivity, to accelerate the search for candidates. Meanwhile, the statistical analysis through the hierarchical filtrations clarified the potential of 2r-3s and 2r-4s scaffold types for creating highly energetic molecules. Finally, several candidates stood out owing to nearly 10000 m/s detonation velocity and acceptable predicted sensitivity, elucidating the effectiveness of our approach. We anticipate this investigation could not only be a vital point for subsequent fused cyclic EM research, but also offered a new avenue for material design in other fields. © 2022 Elsevier Ltd

关键词： Scaffolds

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Laser-Synthesized Ligand-Free Cu Nanocatalysts in Electrochemical CO2 Reduction to Methane

arXiv

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arXiv 2025年

作者： Ye, Taiping Lactionov, Artyom Sozaev, Islam Popov, Anton Klimentov, Sergei Kabashin, Andrei V. Liu, Ya International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Shaanxi 710049 China National Research Nuclear University MEPhI Moscow115409 Russia CNRS LP3 Aix-Marseille Université Marseille13288 France

Electrochemical CO2 reduction (eCO2R) represents a pivotal strategy for mitigating global carbon emissions while simultaneously converting renewable energy into storable chemical fuels. Copper-based catalysts have been extensively explored in this field due to their unique capability to catalyze multi-carbon products. However, the intrinsic complexity of eCO2R pathways on Cu surfaces often leads to mixed product distributions, posing a significant challenge for achieving high selectivity toward a single desired hydrocarbon. Herein, we report a breakthrough in methane selectivity using laser-synthesized, ligand-free Cu nanomaterials. Unlike conventional Cu catalysts that produce diverse products, these ligand-free nanoparticles exhibit unprecedented selectivity for methane (CH4) with a Faradaic efficiency (FE) exceeding 70% at superior overpotentials. The absence of surface ligands, a direct consequence of the ultrafast laser ablation synthesis, ensures abundant exposed active sites with tailored electronic and geometric configurations. We attribute the exceptional methane selectivity to the synergistic effects of active sites-rich surfaces and optimized *CO intermediate binding energetics, which favor the protonation pathway toward CH4 rather than C–C coupling. This work not only resolves the longstanding selectivity dilemma in Cu-catalyzed eCO2R but also establishes laser-synthesized ligand-free nanomaterials as a versatile platform for designing high-performance electrocatalysts. Copyright © 2025, The Authors. All rights reserved.

关键词： Nanoparticles

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Model Predictive Control for Automatic Operation of Space Nuclear Reactors: Design, Simulation, and Performance Evaluation

SSRN

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SSRN 2023年

作者： Fu, Jianghan Jin, Zhao Dai, Zhiwen Su, Guanghui Wang, Chenglong Tian, Wenxi Qiu, Suizheng Department of Nuclear Science and Technology State Key Lab. of Multiphase Flow in Power Engineering Shaanxi Key Lab. of Advanced Nuclear Energy and Technology Xi’an Jiaotong University Xi’an710049 China

Space nuclear reactors possess the inherent benefits of independence from solar energy and the capability to withstand intricate external circumstances. Consequently, the establishment of a dependable automatic control system assumes utmost significance. In this paper, a high-fidelity nonlinear space thermionic nuclear reactor system model is established. An automatic control system with a model predictive control (MPC) controller is designed based on the system. In the case of a nuclear power step response, the MPC controller achieves an overshoot of 0.07% and a settling time of 0.65s. For an electric power step response, the MPC controller yields an overshoot of 0.28% and a settling time of 36.6s. These control performances are better than those achieved by the PID controller. In power tracking control, the MPC controller demonstrates virtually error-free tracking performance. When external reactivity disturbances are introduced, the MPC controller swiftly compensates for the disturbances at the desired level. © 2023, The Authors. All rights reserved.

关键词： Model predictive control

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Development in the application of laser-induced breakdown spectroscopy in recent years:A review

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Frontiers of physics 2021年第2期16卷 45-69页

作者： Lian-Bo Guo Deng Zhang Lan-Xiang Sun Shun-Chun Yao Lei Zhang Zhen-Zhen Wang Qian-Qian Wang Hong-Bin Ding Yuan Lu Zong-Yu Hou Zhe Wang Wuhan National Laboratory for Optoelectronics(WNLO) Huazhong University of Science and TechnologyWuhan 430074China State Key Laboratory of Robotics Shenyang Institute of AutomationChinese Academy of SciencesSheyang 110016China School of Electric Power South China University of TechnologyGuangzhou 510640China State Key Laboratory of Quantum Optics and Quantum Optics Devices Institute of Laser SpectroscopyShanxi UniversityTaiyuan 030006China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an 710049China Key Laboratory of Photonic Information Technology School of Optics and PhotonicsBeijing Institute of TechnologyBeijing 100081China School of Physics Dalian University of TechnologyNo.2 Linggong RoadGanjingzi DistrictDalian 116024China Optics and Optoelectronics Laboratory Ocean University of ChinaQingdao 266100China State Key Lab of Power Systems Department of Energy and Power EngineeringTsinghua UniversityBeijing 100084China

Laser-induced breakdown spectroscopy(LIBS)has been widely studied due to its unique advantages such as remote sensing,real-time multi-elemental detection and none-to-little *** the efforts of researchers around the world,LIBS has been developed by leaps and ***,in recent years,more and more Chinese LIBS researchers have put tremendous energy in promoting LIBS *** is worth mentioning that the application of LIBS in a specific field has its special application background and technical difficulties,therefore it may develop in different stages.A review summarizing the current development status of LIBS in various fields would be helpful for the development of LIBS technology as well as its applications especially for Chinese LIBS community since most of the researchers in this field work in *** the present work,we summarized the research status and latest progress of main research groups in coal,metallurgy,and water,*** on the current research status,the challenges and opportunities of LIBS were evaluated,and suggestions were made to further promote LIBS applications.

关键词： laser-induced breakdown spectroscopy application

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Numerical study on oxy-fuel co-combustion of semi-coke and coal in utility boiler: Insight into NOx emission and combustion efficiency 7

Numerical study on oxy-fuel co-combustion of semi-coke and c...

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7th International Conference on power engineering, ICOPE 2019

作者： Feng, Qinqin Wang, Chang'an Lv, Qiang Zhao, Lin Du, Yongbo Wang, Pengqian Zhang, Jingwen Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an710049 China

Oxy-fuel combustion is clean and efficient combustion technology, which not only benefits the large-scale capture of CO2 but also reduces NOx emission, and then promotes the efficient and clean utilization of carbon-based solid fuels. This study mainly aimed at the oxy-fuel co-combustion of semi-coke and coal in utility boiler with special insight into NOx emission and combustion efficiency. The simulation results showed that when the blending ratio of semi-coke was 45%, the NOx concentration at the furnace outlet under oxy-fuel condition was increased with the oxygen content. The flue gas circulation modes ("dry" versus "wet") had insignificant impact on the NOx emission when the initial oxygen concentration was set as 24% and 27%. When the blending ratio of semi-coke was 70%, the differences of NOx emission between "dry" and "wet" flue gas circulation modes were enlarged with rise in oxygen content under oxy-fuel condition. For oxy-fuel cases, despite of the growth of burnout ratio, the carbon content in fly ash first increased and then decreased with the rise of oxygen content. With the oxygen concentration increased to 30%, lower carbon content in fly ash and higher burnout ratio could be observed in comparison to the cases under air condition. © ICOPE 2019 - 7th International Conference on power engineering, Proceedings. All rights reserved.

关键词： Fly ash

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