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engineering nanoparticle structure at synergistic Ru-Na interface for integrated CO2 capture and hydrogenation

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Journal of Energy Chemistry 2025年第1期100卷 779-791页

作者： Hanzi Liu Ling Cen Xinlin Xie Lei Liu Zhao Sun Zhiqiang Sun Hunan engineering Research center of Clean and Low-Carbon Energy Technology School of Energy Science and Engineering Central South University

The development of dual functional material for cyclic CO2capture and hydrogenation is of great significance for converting diluted CO2into valuable fuels,but suffers from kinetic limitation and deactivation of adsorbent and ***,we engineered a series of RuNa/γ-Al2O3materials,varying the size of ruthenium from single atoms to clusters/*** coordination environment and structure sensitivity of ruthenium were quantitatively investigated at atomic *** findings reveal that the reduced Ru nanoparticles,approximately 7.1 nm in diameter with a Ru-Ru coordination number of 5.9,exhibit high methane formation activity and selectivity at 340°*** Ru-Na interfacial sites facilitate CO2migration through a deoxygenation pathway,involving carbonate dissociation,carbonyl formation,and ***-situ experiments and theoretical calculations show that stable carbonyl intermediates on metallic Ru nanoparticles facilitate heterolytic C–O scission and C–H bonding,significantly lowering the energy barrier for activating stored CO2.

关键词： Carbon capture and utilization

Highly conductive and stable iodine doped argyrodite electrolyte for all-solid-state lithium batteries

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Journal of Energy Chemistry 2025年第1期100卷 50-58页

作者： Gaozhan Liu Jing Zhang Jing Yang Jinghui Chen Xingyue Xiao Xiayin Yao Ningbo Institute of Materials Technology and engineering Chinese Academy of Sciences center of Materials Science and Optoelectronics engineering University of Chinese Academy of Sciences

Lithium argyrodites with high ionic conductivity and low cost are considered as one of the most prospective solid electrolytes for all-solid-state lithium ***,the poor chemical stability and compatibility with lithium metal limit their ***,Li5.4PS4.4Cl1.4I0.2solid electrolyte with high ionic conductivity of 11.49 m S cm-1and improved chemical stability is synthesized by iodine *** ultra-thin Li5.4PS4.4Cl1.4I0.2membrane with thickness of 10μm can be obtained by wet coating process,exhibiting a high ionic conductivity of 2.09 mS cm-1and low areal resistance of 1.17Ω***,iodine doping could in-situ form LiI at the lithium/electrolyte interface and improve the critical current density of Li5.4PS4.4Cl1.6from 0.8 to 1.35 mA *** resultant LiCoO2/Li5.4PS4.4Cl1.4I0.2/Li battery shows excellent cycling stability at 1 C,with a reversible specific capacity of 110.1 mA h g-1and a retention of 80.5% after 1000 *** addition,the assembled LiCoO2/Li5.4PS4.4Cl1.4I0.2membrane/Li pouch cell delivers an initial discharge capacity of 110.4 mA h g-1and 80.5% capacity retention after 100 cycles.

关键词： Solid-State Batteries

Multiphysics simulation and optimization of the in-situ beneficiation process of ilmenite minerals from lunar regolith

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Science China Earth Sciences 2025年第1期68卷 195-207页

作者： Peng ZHANG Xin LIU Guanghui LIU Wei DAI Hanzhe YANG Haibo ZHENG Zhi WANG Ran NIU Yifan BAI Yang ZHANG Chengbao LIU Ge YANG Junwei YANG Guang ZHANG Technology and engineering center for Space Utilization Chinese Academy of Sciences Beijing Hegong Simulation Co. Ltd

The exploration and utilization of lunar resources have become the major objectives of future lunar exploration missions. The classified collection and processing of lunar minerals is the basic prerequisite for the in-situ exploration and utilization of lunar resources. In this study, we propose a scheme for in-situ separation of magnetic minerals from lunar soils using the dry magnetic separation method. The scheme can realize the purpose of separating magnetic minerals from lunar regolith by altering the motion trajectory of lunar regolith particles with different magnetic properties. Detailed modeling of the dry magnetic separation device is conducted, and the three-dimensional distribution of magnetic parameters is calculated and analyzed. Based on the characterization and analysis of the Chang E-5's samples, the morphologies and physical parameters of lunar regolith particles are modeled and simulated. A discrete element simulation of the motion process of lunar regolith particles under multi-physical field conditions is performed, and the influences of key parameters on the beneficiation performance of lunar magnetic minerals are investigated. Our results indicate that optimal separation and beneficiation of lunar regolith particles can be achieved under specific conditions of magnetic field strength and drum speed. Additionally, we analyze the effects of lunar weak gravity conditions and the charged nature of lunar particles on the beneficiation process, showing that these factors can obviously enhance the beneficiation process of lunar ilmenites. This study demonstrates the feasibility of using the dry magnetic separation method for the beneficiation of magnetic minerals from lunar regolith, providing a theoretical basis for the scientific tasks of collecting, processing, and utilizing lunar mineral resources.

关键词： Lunar regolith In-situ resource utilization Magnetic separation Classified sampling

Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion

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Green Energy & Environment 2025年第1期10卷 109-131页

作者： Wei Ma Jiahao Yao Fang Xie Xinqi Wang Hao Wan Xiangjian Shen Lili Zhang Menggai Jiao Zhen Zhou Interdisciplinary Research center for Sustainable Energy Science and engineering(IRC4SE2) School of Chemical EngineeringZhengzhou UniversityHenan450001China

Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic *** introduction of defects emerges as a promising strategy,effectively modifying the electronic structure of active *** optimization influences the adsorption energy of intermediates,thereby mitigating reaction energy barriers,altering paths,enhancing selectivity,and ultimately improving the catalytic efficiency of *** elucidate the impact of defects on the electrocatalytic process,we comprehensively outline the roles of various point defects,their synthetic methodologies,and characterization ***,we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO_(2)/O_(2)/N_(2) reduction reactions by integrating mechanisms from diverse *** underscores the pivotal role of point defects in enhancing catalytic *** last,the principal challenges and prospects associated with point defects in current electrocatalysts are proposed,emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials.

关键词： Point defect engineering Doping Vacancy Electrocatalysis Electronic structure

Secure beamforming and deployment design for rate-splitting multiple access-based UAV communications

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Science China(Information Sciences) 2025年第1期68卷 342-356页

作者： Bing WANG Xiaofeng TAO Shujun HAN Huici WU Kai YANG Zhu HAN National engineering Research center of Mobile Network Technologies Beijing University of Posts and Telecommunications Peng Cheng Laboratory Department of Electrical and Computer engineering University of Houston

Rate-splitting multiple access(RSMA) has recently gained attention as a potential robust multiple access(MA)scheme for upcoming wireless networks. Given its ability to efficiently utilize wireless resources and design interference management strategies, it can be applied to unmanned aerial vehicle(UAV) networks to provide convenient services for large-scale access ground users. However, due to the line-of-sight(LoS) broadcast nature of UAV transmission, information is susceptible to eavesdropping in RSMA-based UAV networks. Moreover, the superposition of signals at the receiver in such networks becomes complicated. To cope with the challenge, we propose a two-user multi-input single-output(MISO) RSMA-based UAV secure transmission framework in downlink communication networks. In a passive eavesdropping scenario, our goal is to maximize the sum secrecy rate by optimizing the transmit beamforming and deployment location of the UAV-base station(UAV-BS),while considering quality-of-service(QoS) constraints, maximum transmit power, and flight space limitations. To address the non-convexity of the proposed problem, the optimization problem is first decoupled into two subproblems. Then, the successive convex approximation(SCA) method is employed to solve each subproblem using different propositions. In addition, an alternating optimization(AO)-based location RSMA(L-RSMA) beamforming algorithm is developed to implement joint optimization to obtain the suboptimal solution. Numerical results demonstrate that(1) the proposed L-RSMA scheme yields a28.97% higher sum secrecy rate than the baseline L-space division multiple access(SDMA) scheme;(2) the proposed L-RSMA scheme improves the security performance by 42.61% compared to the L-non-orthogonal multiple access(NOMA) scheme.

关键词： rate-splitting multiple access UAV communication precoding optimization deployment location physical layer security

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Efficient photocatalytic reduction of CO2 to formate by a molecular noble metal-free system

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Science China Chemistry 2025年第1期68卷 152-156页

作者： Lihua Zhang Lingjing Chen Huatian Shi Yue Wei Gui Chen Tai-Chu Lau School of Environment and Civil engineering Research Center for Eco-environmental Engineering Dongguan University of Technology Department of Chemistry and Institute of Molecular Functional Materials City University of Hong Kong

Reducing CO2to carbon-neutral solar fuels can not only alleviate the energy demand but also mitigate the greenhouse *** present,developing an efficient non-noble metal photo/electrocatalytic system for converting CO2to a specific product beyond CO is still a big ***,we report a new cobalt complex bearing 2,2′-bi-1,10-phenanthroline ligand that can photocatalytically reduce CO2to formate （HCOO-）.Turnover number （TON） for HCOO-up to 677 with 99%selectivity can be achieved using organic dyes purpurin as photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole （BIH） as sacrificial reductant in a CO2-saturated NMP/TEA （v/v,3:1） solution under visible light *** potential electrolysis at-1.41 V （***/Ag Cl） in the presence of 12 m M Et3NHBF4also produced HCOO-with Faradaic efficiency of 39%.Spectroscopic and electrochemical studies suggest that a[CoI-H]species is the key intermediate for CO2reduction.

关键词： photocatalysis noble metal-free CO2 reduction formate cobalt hydride

Prominent cycling reversibility and kinetics enabled by CaTiO3 protective layer on Zn metal for aqueous Zn-ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 245-258页

作者： Gaeun Lee Yong Nam Ahn Seongjoon So Chanwoo Park Jong-Seong Bae Taehyun Park Il Tae Kim Jaehyun Hur School of Chemical Biological and Battery Engineering Gachon University Seongnam Busan center Korea Basic Science Institute

Aqueous Zn-ion batteries （AZIBs） have received considerable attention owing to their various advantages such as safety,low cost,simple battery assembly conditions,and high ionic ***,they still suffer from serious problems,including uncontrollable dendrite growth,corrosion,hydrogen evolution reaction （HER） from water decomposition,electrode passivation,and unexpected *** creation of a uniform artificial nanocrystal layer on the Zn anode surface is a promising strategy for resolving these ***,we propose the use of a perovskite CaTiO3（CTO） protective layer on Zn（CTO@Zn） as a promising approach for improving the performance of *** CTO artificial layer provides an efficient pathway for Zn ion diffusion towards the Zn metal because of the high dielectric constant （εr=180） and ferroelectric characteristics that enable the alignment of dipole moments and redistribute the Zn2+ions in the CTO *** avoiding the direct contact of the Zn anode with the electrolyte solution,the uneven dendrite growth,corrosion,parasitic side reactions,and HER are mitigated,while CTO retains its mechanical and chemical robustness during ***,CTO@Zn demonstrates an improved lifespan in a symmetric cell configuration compared with bare ***@Zn shows steady overpotential （～68 m V） for 1500 h at 1 mA cm-2/0.5 mA h cm-2,excelling bare ***,when paired with the V2O5-C cathode,the CTO@Zn//V2O5-C full battery delivers 148.4 mA h g-1（based on the mass of the cathode） after 300 *** study provides new insights into Zn metal anodes and the development of high-performance AZIBs.

关键词： Perovskite

Prediction and optimization of flue pressure in sintering process based on SHAP

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 346-359页

作者： Mingyu Wang Jue Tang Mansheng Chu Quan Shi Zhen Zhang School of Metallurgy Northeastern UniversityShenyang 110819China Liaoning Low-Carbon Steelmaking Technology engineering Research center Northeastern UniversityShenyang 110819China engineering Research center of Frontier Technologies for Low-Carbon Steelmaking(Ministry of Education) Shenyang 110819China

Sinter is the core raw material for blast *** pressure,which is an important state parameter,affects sinter *** this paper,flue pressure prediction and optimization were studied based on the shapley additive explanation(SHAP)to predict the flue pressure and take targeted adjustment ***,the sintering process data were collected and processed.A flue pressure prediction model was then constructed after comparing different feature selection methods and model algorithms using SHAP+extremely random-ized trees(ET).The prediction accuracy of the model within the error range of±0.25 kPa was 92.63%.SHAP analysis was employed to improve the interpretability of the prediction *** effects of various sintering operation parameters on flue pressure,the relation-ship between the numerical range of key operation parameters and flue pressure,the effect of operation parameter combinations on flue pressure,and the prediction process of the flue pressure prediction model on a single sample were analyzed.A flue pressure optimization module was also constructed and analyzed when the prediction satisfied the judgment *** operating parameter combination was then *** flue pressure was increased by 5.87%during the verification process,achieving a good optimization effect.

关键词： sintering process flue pressure shapley additive explanation prediction optimization

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Co-production of hydrogen, oxygen, and electricity via an integrated solar-driven system with decoupled water electrolyzer and Na-Zn ion battery

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Journal of Energy Chemistry 2025年第1期100卷 621-627页

作者： Fei Lv Longjie Liu Jiazhe Wu Pengfei Wang Lixia Pan Dengwei Jing Yubin Chen International Research center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University

Combining water electrolysis and rechargeable battery technologies into a single system holds great promise for the co-production of hydrogen （H2） and ***,the design and development of such systems is still in its ***,an integrated hydrogen-oxygen （O2）-electricity co-production system featuring a bipolar membrane-assisted decoupled electrolyzer and a Na-Zn ion battery was established with sodium nickelhexacyanoferrate （NaNiHCF） and Zn2+/Zn as dual redox *** decoupled electrolyzer enables to produce H2and O2in different time and space with almost 100%Faradaic efficiency at 100 mA ***,the charged NaNiHCF and Zn electrodes after the electrolysis processes formed a Na-Zn ion battery,which can generate electricity with an average cell voltage of 1.75 V at 10 m A *** connecting Si photovoltaics with the modular electrochemical device,a well-matched solar driven system was built to convert the intermittent solar energy into hydrogen and electric energy with a solar to hydrogen-electricity efficiency of 16.7%,demonstrating the flexible storage and conversion of renewables.

关键词： Hydrogen Electricity Decoupled water electrolyzer Na-Zn ion battery Solar energy