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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

Boosting cationic and anionic redox activity of Li-rich layered oxide cathodes via Li/Ni disordered regulation

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Journal of Energy Chemistry 2025年第1期100卷 533-543页

作者： Zewen Liu Zhen wu Hao wang Xudong Zhang Yuanzhen Chen Yongning Liu Shengwu Guo Shenghua Chen Yanli Nan Yan Liu State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University School of Materials Science and Engineering Xi'an University of Architecture and Technology Hefei Advanced Computing Center Operation Management Corp Ltd Network Information Center Xi'an Jiaotong University

Lithium-rich layered oxides （LLOs） are increasingly recognized as promising cathode materials for nextgeneration high-energy-density lithium-ion batteries （LIBs）.However,they suffer from voltage decay and low initial Coulombic efficiency （ICE） due to severe structural degradation caused by irreversible O ***,we introduce a three-in-one strategy of increasing Ni and Mn content,along with Li/Ni disordering and TM–O covalency regulation to boost cationic and anionic redox activity simultaneously and thus enhance the electrochemical activity of *** target material,Li1.2Ni0.168Mn0.558Co0.074O2（L1）,exhibits an improved ICE of 87.2%and specific capacity of 293.2 mA h g-1and minimal voltage decay of less than 0.53 m V cycle-1over 300 cycles at 1C,compared to Li1.2Ni0.13Mn0.54Co0.13O2（Ls）(274.4 mA h g-1for initial capacity,73.8%for ICE and voltage decay of 0.84 mV/cycle over 300 cycles at 1C).Theoretical calculations reveal that the density of states （DOS） area near the Fermi energy level for L1 is larger than that of Ls,indicating higher anionic and cationic redox reactivity than ***,L1 exhibits increased O-vacancy formation energy due to higher Li/Ni disordering of 4.76%（quantified by X-ray diffraction Rietveld refinement） and enhanced TM–O covalency,making lattice O release more difficult and thus improving electrochemical *** increased Li/Ni disordering also leads to more Ni2+presence in the Li layer,which acts as a pillar during Li+de-embedding,improving structural *** research not only presents a viable approach to designing low-Co LLOs with enhanced capacity and ICE but also contributes significantly to the fundamental understanding of structural regulation in high-performance LIB cathodes.

关键词： Ice

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混流式核主泵非定常流场的压力脉动特性分析

动力工程 2009年第11期29卷 1036-1040页

作者：王春林易同祥吴志旺刘红光梁俊江苏大学能源与动力工程学院镇江212013

为研究核主泵内部流场压力脉动情况,采用大涡模拟方法对模型泵内部流场进行了三维非定常数值模拟,通过设置监测点,得到了不同位置处的压力脉动结果,并进行了频域分析.结果表明:核主泵模型泵内最大压力脉动发生在叶轮出口处,从叶轮进口... 详细信息

为研究核主泵内部流场压力脉动情况,采用大涡模拟方法对模型泵内部流场进行了三维非定常数值模拟,通过设置监测点,得到了不同位置处的压力脉动结果,并进行了频域分析.结果表明:核主泵模型泵内最大压力脉动发生在叶轮出口处,从叶轮进口到导叶出口,压力脉动先增大后减小,压力脉动频率主要受叶轮转频控制;在球壳内部压力脉动沿着球壳半径方向逐渐减小,且压力脉动频率与叶轮转频有关.

关键词：核主泵大涡模拟非定常流场压力脉动

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Crystallization Modulation and Holistic Passivation Enables Efficient Two‑Terminal Perovskite/CuIn(Ga)Se_(2)Tandem Solar Cells

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Nano-Micro Letters 2025年第1期17卷 205-215页

作者： Cong Geng Kuanxiang Zhang Changhua wang Chung Hsien wu Jiwen Jiang Fei Long Liyuan Han Qifeng Han Yi‑Bing Cheng Yong Peng State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070People’s Republic of China Triumph Photovoltaic Materials Co. Ltd.No.1001 Yannan AvenueHigh‑Tech Development DistrictBengbuAnhui 233000People’s Republic of China College of Materials Science and Engineering Guilin University of TechnologyGuilin 541004People’s Republic of China State Key Laboratory of Metal Matrix Composites Shanghai Jiao Tong UniversityShanghai 200240People’s Republic of China

Two-terminal(2-T)perovskite(PVK)/CuIn(Ga)Se_(2)(CIGS)tandem solar cells(TSCs)have been considered as an ideal tandem cell because of their best bandgap matching regarding to Shockley–Queisser(S–Q)***,the nature of the irregular rough morphology of commercial CIGS prevents people from improving tandem device *** this paper,D-homoserine lactone hydrochloride is proven to improve coverage of PVK materials on irregular rough CIGS surfaces and also passivate bulk defects by modulating the growth of PVK *** addition,the minority carriers near the PVK/C60 interface and the incompletely passivated trap states caused interface recombination.A surface reconstruction with 2-thiopheneethylammonium iodide and N,N-dimethylformamide assisted passivates the defect sites located at the surface and grain ***,LiF is used to create this field effect,repelling hole carriers away from the PVK and C60 interface and thus reducing *** a result,a 2-T PVK/CIGS tandem yielded a power conversion efficiency of 24.6%(0.16 cm^(2)),one of the highest results for 2-T PVK/CIGS TSCs to our *** validation underscores the potential of our methodology in achieving superior performance in PVK/CIGS tandem solar cells.

关键词： PVK/CIGS TSCs Irregular rough surfaces Modulating the growth PVK/C60 interface recombination

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Dual modulation of homogeneous nanomaterialization and electrochemical activation enhancing zinc ion storage

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Science China Chemistry 2025年第1期68卷 385-393页

作者： Jianwei wang Huan wang Kangning wang Wenhui wang Wenlin Zhang Yanzhong Zhen School of Chemistry & Chemical Engineering Yan'an University

Vanadium-based electrode materials are widely investigated,but the low specific capacity and slow electrochemical kinetics in aqueous zinc-ion batteries still limit their commercial ***,the VS2/Ca V4O9material with the morphology of nanoflower was synthesized by a one-step hydrothermal *** to the blocky structure of pure VS2material,the VS2/Ca V4O9material is composed of thinner homogeneous *** open structures could provide abundant electrochemical active sites and ion transport channels,and then promote the electrochemical reaction *** addition,they can also buffer the bulk strain during the reaction *** improve the utilization of vanadium elements,an in-situ electrochemical activation strategy is used to explore the storage performance of the VS2/Ca V4O9material,the different activation voltage range of 0.4–1.6 and 0.4–1.4 V are selected,*** with the longer activation plateau of activated-VS2,the VS2/Ca V4O9cathode could quickly reach the activation state in the range of 1.4–1.6 V and cause the release of additional Zn storage sites *** VS2/Ca V4O9cathode delivers a higher power density of 37,000 W kg-1and a significant energy density of 423 Wh *** the high current density of 15 A g-1,the VS2/Ca V4O9cathode still has a discharge capacity of 183.9m Ah g-1after 5,000 cycles,and the capacity decay rate per cycle is only 0.0042%.Continuous cyclic voltammetry （CV） curves,electrochemical impedance spectroscopy （EIS） measurements,density functional theory （DFT） calculation and galvanostatic intermittent titration technique （GITT） measurements demonstrate that the VS2/Ca V4O9cathode has a faster ion diffusion/charge transfer ***,the assembled flexible device has an excellent mechanical stability.

关键词： dual modulation homogeneous nanomaterialization electrochemical activation zinc ion storage

Mechanistic insight into the synergy between nickel single atoms and nanoparticles on N-doped carbon for electroreduction of CO2

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Journal of Energy Chemistry 2025年第1期100卷 327-336页

作者： Mingdong Sun Wenwen Guan Cailing Chen Chao wu Xiaoling Liu Biao Meng Tao Chen Yu Han Jun wang Shibo Xi Yu Zhou State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical Engineering Nanjing Tech University Advanced Membranes and Porous Materials Center Physical Sciences and Engineering Division King Abdullah University of Science and Technology Institute of Sustainability for Chemicals Energy and Environment A*STAR (Agency for Science Technology and Research) College of Materials Science and Engineering Sichuan University

The synergy of single atoms （SAs） and nanoparticles （NPs） has demonstrated great potential in promoting the electrocatalytic carbon dioxide reduction reaction （CO2RR）;however,the rationalization of the SAs/NPs proportion remains one challenge for the catalyst ***,a Ni2+-loaded porous poly（ionic liquids）(PIL) precursor synthesized through the free radical self-polymerization of the ionic liquid monomer,1-allyl-3-vinylimidazolium chloride,was pyrolyzed to prepare the Ni,N co-doped carbon materials,in which the proportion of Ni SAs and NPs could be facilely modulated by controlling the annealing *** catalyst Ni-NC-1000 with a moderate proportion of Ni SAs and NPs exhibited high efficiency in the electrocatalytic conversion of CO2into *** Ni K-edge X-ray absorption near-edge structure （XANES） spectra and theoretical calculations were conducted to gain insight into the synergy of Ni SAs and *** charge transfer from Ni NPs to the surrounding carbon layer and then to the Ni SAs resulted in the electron-enriched Ni SAs active *** the electroreduction of CO2,the coexistence of Ni SAs and NPs strengthened the CO2activation and the affinity towards the key intermediate of*COOH,lowering the free energy for the potential-determining*CO2→*COOH step,and therefore promoted the catalysis efficiency.

关键词： Activation energy

Breaking the structural symmetry of active sites in zeolite imidazolate framework for enhanced CO2 photoreduction

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Science China Chemistry 2025年

作者： Yupeng Han Yayu Yan Qiaohong Li Xin wu Fei wang Jian Zhang State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences University of Chinese Academy of Sciences College of Chemistry Fuzhou University

Adjusting the structure and composition of active sites is a highly effective method for activating linear ***, precise control of interfacial chemistry within molecular-scale environments presents a significant challenge in heterogeneous catalysis. In our study, we present symmetry-broken Mo-O-Co triple-atom active sites within the hybrid zeolite imidazole framework HZIF-CoMo. These sites disrupt the electronic balance and create a weak built-in electric field, thus promoting photocatalytic CO2reduction. The CO yield over HZIF-CoMo is improved to 3.1 mmol g-1h-1, which is over four times higher than the parent cobalt-imidazole framework MAF-6-Co. Both experimental and theoretical studies indicate that electronic modulation through the symmetry-breaking Mo-O-Co moiety acts as an organizing knob to accelerate charge separation and result in more carriers participating in the catalytic reaction. This work provides important insights into optimizing site-related electronic structures for targeted photocatalytic reactions.

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Smart windows with high optical transparency and structural color

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Science China Chemistry 2025年

作者： Youtong wu Xueting Li Yiwen Li Hao wang Yuqi Zhang Xihua Lu College of Chemistry and Chemical Engineering Donghua University Fujian Nano-Micro Advanced Materials Sci.& Tech.Co.Ltd. Jinjiang Innovation Entrepreneurship and Creativity Park Shanghai Evanston Advanced Materials Sci.& Tech.Co.Ltd.

In recent years, thermochromic smart windows have played an important role in enhancing energy efficiency and contributing to carbon neutrality in building energy consumption. However, thermal-shielding smart windows with high visible light modulation and structural colors are rarely reported. This study focuses on the development of thermochromic smart windows utilizing poly（N-isopropylacrylamide）(PNIPAm)-based nanogels, which exhibit dynamic solar modulation and high visible light transmission without additional energy input. Unlike traditional electrochromic materials such as tungsten trioxide, these smart windows achieve structural color states through the self-assembly of nanogels, eliminating the need for inorganic materials. The fabricated hydrogel contains thermo-responsive poly（N-isopropylacrylamide-random-acrylic acid-random-N-tert-butyl acrylamide）P（NIPAm-r-AA-r-TBA）(PNTA) nanogels with tunable phase transition temperatures（Tp） that align with ambient *** smart windows demonstrate excellent stability over 100 heating-cooling cycles and significant temperature regulation,achieving an indoor temperature modulation of 10 °C and energy savings of 14.24 KJ m-3compared with normal windows. The production process is simple and scalable, making it feasible for industrial applications. Furthermore, these smart windows offer additional functionalities such as information encryption, adding value to their practical application.

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Defects‑Rich Heterostructures Trigger Strong Polarization Coupling in Sulfides/Carbon Composites with Robust Electromagnetic Wave Absorption

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Nano-Micro Letters 2025年第1期17卷 528-547页

作者： Jiaolong Liu Siyu Zhang Dan Qu Xuejiao Zhou Moxuan Yin Chenxuan wang Xuelin Zhang Sichen Li Peijun Zhang Yuqi Zhou Kai Tao Mengyang Li Bing Wei Hongjing wu Mengyang Li Bing Wei Hongjing wu School of Physics Xidian UniversityXi’an 710071People’s Republic of China School of Advanced Materials and Nanotechnology State Key Discipline Laboratory of Wide Band Gap Semiconductor TechnologyXidian UniversityXi’an 710071People’s Republic of China School of Microelectronics Xidian UniversityXi’an 710071People’s Republic of China School of Telecommunication Engineering Xidian UniversityXi’an 710071People’s Republic of China MOE Key Laboratory of Material Physics and Chemistry Under Extraordinary School of Physical Science and TechnologyNorthwestern Polytechnical UniversityXi’an 710072People’s Republic of China The Ministry of Education Key Laboratory of Micro and Nano Systems forAerospace School of Mechanical EngineeringNorthwestern PolytechnicalUniversityXi’an 710072People’s Republic of China

Defects-rich heterointerfaces integrated with adjustable crystalline phases and atom vacancies,as well as veiled dielectric-responsive character,are instrumental in electromagnetic *** methods,however,constrain their delicate ***,an innovative alternative is proposed:carrageenan-assistant cations-regulated(CACR)strategy,which induces a series of sulfides nanoparticles rooted in situ on the surface of carbon *** unique configuration originates from strategic vacancy formation energy of sulfides and strong sulfides-carbon support interaction,benefiting the delicate construction of defects-rich heterostructures in M_(x)S_(y)/carbon composites(M-CAs).Impressively,these generated sulfur vacancies are firstly found to strengthen electron accumulation/consumption ability at heterointerfaces and,simultaneously,induct local asymmetry of electronic structure to evoke large dipole moment,ultimately leading to polarization coupling,i.e.,defect-type interfacial ***“Janus effect”(Janus effect means versatility,as in the Greek two-headed Janus)of interfacial sulfur vacancies is intuitively confirmed by both theoretical and experimental investigations for the first ***,the sulfur vacancies-rich heterostructured Co/Ni-CAs displays broad absorption bandwidth of 6.76 GHz at only 1.8 mm,compared to sulfur vacancies-free CAs without any dielectric *** defects-rich heterostructures,this one-pot CACR strategy may steer the design and development of advanced nanomaterials,boosting functionality across diverse application domains beyond electromagnetic response.

关键词： Defects-rich heterointerfaces Sulfides Polarization coupling Electromagnetic wave absorption

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