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Journal of Thermal science 2025年第1期34卷 34-49页

作者： WANG Shuang MU Lin LI Xue XIE Jun DONG Ming School of Energy and Power Engineering Dalian University of Technology School of Optical Information and Energy Engineering Wuhan Institute of Technology School of Energy and Environment Shenyang Aerospace University

Turbulent agglomeration is viewed as a promising technology for enhancing fine particle removal *** better understand particle transport,agglomeration behaviors,and fluid-particle interactions,we numerically explored these phenomena under cylindrical vortex wake influence using a coupled large eddy simulation and discrete element method（LES-DEM） *** validity of the LES approach was verified by comparison with available direct numerical simulation（DNS） *** adopted the Johnson-Kendall-Roberts（JKR） contact model for particle-particle *** particle dispersion and agglomeration characteristics of particles with different diameters（dp=2-20 μm） in the laminar and transition of shear layer（TrSL） flow regimes were *** particles were concentrated at the vortex centers,while larger particles accumulated around the *** agglomeration efficiency exhibited an M-shaped profile spanwise（y-direction）.With increasing Reynolds number,the agglomeration efficiency and turbulence intensity *** particle agglomeration efficiency peaks at a certain Reynolds ***,at higher Reynolds numbers,reducing the residence time of particles in the flow field decreases the agglomeration efficiency.

关键词： discrete element method large eddy simulation microparticle particle agglomeration

Unraveling post-growth mechanisms of monolayer CsPbBr3 nanocubes:Laser-enhanced transformations and cathodoluminescence-electron microscopy correlations

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Journal of Energy Chemistry 2025年第1期100卷 146-156页

作者： Mingxing Li Xiaoge Wang Xiaofan Cao Zhiqun He Chunjun Liang Mingxing Chen Jing Ju Fangtian You Key Laboratory of Luminescence and Optical Information Ministry of Education Institute of Optoelectronic Technology Beijing Jiaotong University Beijing national Laboratory for Molecular sciences (BNLMS) College of Chemistry and Molecular Engineering Peking University

Lead-halide perovskite nanoparticles（LHP NPs） are highly promising materials for next-generation displays and solid-state lighting due to their exceptional optical properties. However, their inherent instability presents a significant challenge. Recent advances have demonstrated that optoelectronic devices based on monolayer nanoparticle films exhibit both high luminescence efficiency and long-term *** research demonstrates that mobility limitations and anisotropic alignments in CsPbBr3nanocube monolayer films are key to their stabilization, hindering spontaneous growth through face-to-face fusion and resulting in the formation of connecting necks in a diagonal direction. Introducing laser irradiation confirmed this by significantly accelerating nanocubes growth, increasing mobility, and enhancing local structural ordering, leading to larger and more regularly shaped nanosheets. Fourier transform infrared spectroscopy and energy dispersive spectroscopy line-scan analyses indicated that laser irradiation did not disrupt the ligand structure. Transmission electron microscopy and correlative cathodoluminescence electron microscopy revealed the effects of post-growth and heterogeneous structures, including enhanced luminescence and inhomogeneous intensity in the nanosheets. These findings deepen the understanding of the post-growth mechanism of monolayer nanoparticles and the structure-emission correlation and highlight the unique role of laser irradiation in directing the formation of well-defined and regular nanostructures.

关键词： Energy dispersive spectroscopy

Dynamic Regulation of Hydrogen Bonding Networks and Solvation Structures for Synergistic Solar‑Thermal Desalination of Seawater and Catalytic Degradation of Organic Pollutants

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Nano-Micro Letters 2025年第2期17卷 548-565页

作者： Ming‑Yuan Yu Jing Wu Guang Yin Fan‑Zhen Jiao Zhong‑Zhen Yu Jin Qu Beijing Key Laboratory of Advanced Functional Polymer Composites Beijing University of Chemical TechnologyBeijing 100029People’s Republic of China State Key Laboratory of Organic‑Inorganic Composites College of Materials Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029People’s Republic of China

Although solar steam generation strategy is efficient in desalinating seawater,it is still challenging to achieve continuous solar-thermal desalination of seawater and catalytic degradation of organic ***,dynamic regulations of hydrogen bonding networks and solvation structures are realized by designing an asymmetric bilayer membrane consisting of a bacterial cellulose/carbon nanotube/Co_(2)(OH)_(2)CO_(3)nanorod top layer and a bacterial cellulose/Co_(2)(OH)_(2)CO_(3)nanorod(BCH)bottom ***,the hydrogen bonding networks inside the membrane can be tuned by the rich surface–OH groups of the bacterial cellulose and Co_(2)(OH)_(2)CO_(3)as well as the ions and radicals in situ generated during the catalysis ***,both SO_(4)^(2−)and HSO_(5)−can regulate the solvation structure of Na^(+)and be adsorbed more preferentially on the evaporation surface than Cl^(−),thus hindering the de-solvation of the solvated Na^(+)and subsequent nucleation/growth of ***,the heat generated by the solar-thermal energy conversion can accelerate the reaction kinetics and enhance the catalytic degradation *** work provides a flow-bed water purification system with an asymmetric solar-thermal and catalytic membrane for synergistic solar thermal desalination of seawater/brine and catalytic degradation of organic pollutants.

关键词： Solar steam generation Seawater desalination Catalytic degradation Bacterial cellulose Cobalt hydroxycarbonate nanorods

Effect of Nb-V microalloying on the hot deformation behavior of medium Mn steels

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 360-368页

作者： Yumeng Wang Qinyi Guo Bin Hu Haiwen Luo School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China

The influence of Nb-V microalloying on the hot deformation behavior and microstructures of medium Mn steel(MMS)was investigated by uniaxial hot compression *** establishing the constitutive equations for simulating the measured flow curves,we successfully constructed deformation activation energy(Q)maps and processing maps for identifying the region of flow *** concluded the following consequences of Nb-V alloying for MMS.(i)The critical strain increases and the increment diminishes with the increasing deformation temperature,suggesting that NbC precipitates more efficiently retard dynamic recrystallization(DRX)in MMS compared with solute Nb.(ii)The deformation activation energy of MMS is significantly increased and even higher than that of some reported high Mn steels,suggesting that its ability to retard DRX is greater than that of the high Mn content.(iii)The hot workability of MMS is improved by narrowing the hot processing window for the unstable flow stress,in which fine recrystallized and coarse unrecrystallized grains are present.

关键词： medium manganese steel niobium-vanadium microalloying flow behavior dynamic recrystallization hot workability

Unraveling the significance of cobalt on transformation kinetics,crystallography and impact toughness in high-strength steels

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 380-390页

作者： Yishuang Yu Jingxiao Zhao Xuelin Wang Hui Guo Zhenjia Xie Chengjia Shang Collaborative Innovation Center of Steel Technology University of Science and Technology BeijingBeijing 100083China School of Materials science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China

This work reveals the significant effects of cobalt(Co)on the microstructure and impact toughness of as-quenched highstrength steels by experimental characterizations and thermo-kinetic *** results show that the Co-bearing steel exhibits finer blocks and a lower ductile-brittle transition temperature than the steel without ***,the Co-bearing steel reveals higher transformation rates at the intermediate stage with bainite volume fraction ranging from around 0.1 to *** improved impact toughness of the Co-bearing steel results from the higher dense block boundaries dominated by the V1/V2 variant ***,the addition of Co induces a larger transformation driving force and a lower bainite start temperature(BS),thereby contributing to the refinement of blocks and the increase of the V1/V2 variant *** findings would be instructive for the composition,microstructure design,and property optimization of high-strength steels.

关键词： high-strength steel cobalt transformation kinetics crystallography impact toughness

CO2-mediated bicarbonate conversion to concentrated formate in a CEM-based electrolyzer

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Journal of Energy Chemistry 2025年第1期100卷 605-611页

作者： Haocheng Xiong Donghuan Wu Haonan Li Andrew Li Qikun Hu Siyao Song Bingjun Xu Qi Lu State Key Laboratory of Chemical Engineering Department of Chemical Engineering Tsinghua University College of Chemistry and Molecular Engineering Peking University Ordos Laboratory

Renewable energy-driven bicarbonate conversion to valuable chemicals presents an attractive strategy for mitigating CO2emissions,as bicarbonate can be efficiently generated from the capture of atmospheric CO2using alkaline solutions with reactive *** this work,we present a CO2-mediated bicarbonate conversion to pure formate using a cation exchange membrane-based electrolyzer with a 25 cm2electrode *** electrolysis achieved selectivities exceeding 75%for formate at a total current of 2.5 A,achieving formate concentrations up to 1.2 M and yields as high as 95%over extended *** techno-economic assessment confirmed the economic viability of the process,highlighting the potential for bicarbonate electrolysis as a sustainable method for producing valuable chemicals.

关键词： Electrocatalysis Techno-economic assessments Electrochemistry Flow electrolyzer

High-throughput screening of CO_(2) cycloaddition MOF catalyst with an explainable machine learning model

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Green Energy & Environment 2025年第1期10卷 132-138页

作者： Xuefeng Bai Yi Li Yabo Xie Qiancheng Chen Xin Zhang Jian-Rong Li Beijing Key Laboratory for Green Catalysis and Separation and Department of Chemical Engineering College of Materials Science&EngineeringBeijing University of TechnologyBeijing100124China

The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design ***-throughput screening of catalytic performance is feasible since the large MOF structure database is *** this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition *** descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification *** feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were *** them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.

关键词： Metal-organic frameworks High-throughput screening Machine learning Explainable model CO_(2)cycloaddition

Magneto‑Dielectric Synergy and Multiscale Hierarchical Structure Design Enable Flexible Multipurpose Microwave Absorption and Infrared Stealth Compatibility

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Nano-Micro Letters 2025年第2期17卷 401-416页

作者： Chen Li Leilei Liang Baoshan Zhang Yi Yang Guangbin Ji School of Electronic science and Engineering Nanjing UniversityNanjing 210093People’s Republic of China College of Materials science and Technology Nanjing University of Aeronautics and AstronauticsNanjing 210016People’s Republic of China

Developing advanced stealth devices to cope with radar-infrared(IR)fusion detection and diverse application scenarios is increasingly demanded,which faces significant challenges due to conflicting microwave and IR cloaking mechanisms and functional integration ***,we propose a multiscale hierarchical structure design,integrating wrinkled MXene IR shielding layer and flexible Fe_(3)O_(4)@C/PDMS microwave absorption *** top wrinkled MXene layer induces the intensive diffuse reflection effect,shielding IR radiation signals while allowing microwave to pass ***,the permeable microwaves are assimilated into the bottom Fe_(3)O_(4)@C/PDMS layer via strong magneto-electric *** theoretical and experimental optimization,the assembled stealth devices realize a near-perfect stealth capability in both X-band(8–12 GHz)and long-wave infrared(8–14μm)wavelength ***,it delivers a radar cross-section reduction of−20 dB m^(2),a large apparent temperature modulation range(ΔT=70℃),and a low average IR emissivity of ***,the optimal device demonstrates exceptional curved surface conformability,self-cleaning capability(contact angle≈129°),and abrasion resistance(recovery time≈5 s).This design strategy promotes the development of multispectral stealth technology and reinforces its applicability and durability in complex and hostile environments.

关键词： Microwave absorption Radar-infrared compatible stealth Wrinkled MXene Magneto-dielectric synergy Multifunction

Applications of in-situ solid-state nuclear magnetic resonance in methanol to olefins reaction

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science china Chemistry 2025年第1期68卷 134-151页

作者： Jing Niu Shutao Xu Yingxu Wei Zhongmin Liu national Engineering Research Center of Lower-Carbon Catalysis Technology Dalian Institute of Chemical PhysicsChinese Academy of Sciences State Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of sciences

The methanol-to-olefins（MTO） reaction offers an alternative pathway for the production of low-carbon olefins from non-oil feedstocks. Fundamental research has been impeded by a lack of comprehensive understanding of its underlying mechanism,despite the significant progress made in industry. In-situ solid-state nuclear magnetic resonance（ss NMR） spectroscopy has emerged as a pivotal tool, offering crucial insights into key species under real-time operando conditions. Furthermore, the host–guest interaction between zeolites or surface species residing on zeolites and the reactant/active intermediates is revealed by the combination of in-situ13C MAS NMR and 2D correlation spectroscopy. Moreover, recent technological advancements in hyperpolarization（HP） methods, including HP129Xe NMR and dynamic nuclear polarization（DNP）, have significantly improved the sensitivity of ss NMR, enabling detailed structural and kinetic analysis as well as the detection of trace species. In this feature article, we summarized recent advancements in（in-situ） ss NMR spectroscopy applied to MTO reaction processes,encompassing mechanistic investigations at various stages and the intricate host–guest interactions. These theoretical insights into the dynamic evolution of MTO reactions lay a solid foundation for the optimization of catalytic processes and the development of efficient catalysts, thereby advancing the techniques towards more sustainable and economical production route for olefins.

关键词： MTO zeolites in-situ ssNMR reactive intermediates reaction mechanism

Enhanced post-combustion CO2 capture and direct air capture by plasma surface functionalization of graphene adsorbent

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Journal of Energy Chemistry 2025年第1期100卷 653-664页

作者： Rahul Navik Eryu Wang Xiao Ding Huang Yunyi Yiyu Liu Jia Li Guangdong-Hong Kong Joint Laboratory for Carbon Neutrality Jiangmen Laboratory of Carbon and Science and Technology Guangzhou HKUST Fok Ying Tung Research Institute The Hong Kong University of science and Technology (Guangzhou) Carbon Neutrality and Climate Change Thrust Society Hub The Hong Kong University of Science and Technology (Guangzhou) Stoddart Institute of Molecular science Department of Chemistry Zhejiang University

Graphene has enormous potential to capture CO2due to its unique properties and ***,graphene-based adsorbents have drawbacks of lower CO2adsorption capacity and poor *** work demonstrates a one-step rapid and sustainable N2/H2plasma treatment process to prepare graphene-based sorbent material with enhanced CO2adsorption *** treatment directly enriches amine species,increases surface area,and improves textural *** CO2adsorption capacity increases from 1.6 to 3.3 mmol/g for capturing flue gas,and from 0.14 to 1.3 mmol/g for direct air capture （DAC）.Importantly,the electrothermal property of the plasma-modified aerogels has been significantly improved,resulting in faster heating rates and significantly reducing energy consumption compared to conventional external heating for regeneration of *** aerogels display improved selectivity of 42 and 87 after plasma modification for 5 and 10 min,*** plasma-treated aerogels display minimal loss between 17%and 19% in capacity after 40 adsorption/desorption cycles,rendering excellent *** N2/H2plasma treatment of adsorbent materials would lower energy expenses and prevent negative effects on the global economy caused by climate change.

关键词： Carbon neutrality CO 2 capture Climate change Plasma treatment Graphene aerogel