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Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material

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Journal of Energy Chemistry 2025年第1期100卷 259-272页

作者： Da Wan Shuwei Tang Shulin Bai Xiaodong Li Peng Ai Wanrong Guo Tuo Zheng College of Materials science and Engineering Liaoning Technical University Faculty of Chemistry Northeast Normal University

Layered rare-earth metal oxides, harnessing the dual properties of oxides and two-dimensional layered materials, exhibit remarkable thermal stability and quantum confinement effects. Therefore, this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound. The coexistence of weak interlayer van der Waals interactions, robust intralayer ionic bonding, and partial covalent bonding leads to remarkable bonding heterogeneity, which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction. The weakened chemical bonds induced by the antibonding states, together with the rattling-like behavior of the Zn atom, culminate in the profound anharmonicity in the layered NdZnSbO compound. The weakening bond and heavy element contribute to the softness of phonon modes, which significantly diminishes the phonon group velocity. The redistribution-dominated four-phonon scattering process spans a large optical gap, which effectively reduces the lattice thermal conductivity. The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06) functional in combination with spin–orbit coupling(SOC) effect. The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy, thus amplifying the power factor. Consequently, an optimal figure-of-merit(ZT) of 3.40 at 900 K is achieved for the n-type NdZnSbO compound. The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.

关键词： Bond strength (chemical)

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Laser assisted phase transformation of carbon-based transition metal oxide electrode for high-performance supercapacitor application

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science China Chemistry 2025年

作者： Mingzhen Xiu Jianghong Zhang Yu Lu Xun Cao Kang Huang Siyu Zhu Bowei Zhang Yu Liang Chunwang Zhao Junsheng Wu Yizhong Huang School of Materials science and Engineering Nanyang Technological University Energy Research Institute Interdisciplinary Graduate Programme Nanyang Technological University Institute of Sustainability for Chemicals Energy and Environment Agency for Science Technology and ResearchSingapore Institute of Advanced Materials and Technology University of Science and Technology Beijing School of Materials science and Technology Shenyang University of Chemical Technology School of Materials science and Hydrogen Energy Foshan University

Transitional metal oxides have a wide range of applications due to their superior *** enhanced performance of metal oxide relies on their desirable oxidation states,which is challenging to achieve and requires complex *** study demonstrates a facile strategy enabling rapid phase transformation of transition metal *** approach involves synthesis of a tetragonal Mn3O4/carbon cloth composite using the liquid plasma discharge deposition （LPDD） technique,followed by laser irradiation with the presence of ethylene glycol under an N2gas *** resulting face-centered cubic MnO/carbon cloth electrode exhibits an excellent capacitance of 1,125 F g-1at 2 A g-1,with remarkable capacitance retention of 95%after10,000 *** approach can be extended to other transition metals including Co,Cu,Cr,Fe,Ni,and *** simulations reveal the significance of ethylene glycol and the underlying mechanism associated with the phase transformation of transition metal *** present study offers a powerful technique for the phase transformation of transition metal oxide which can guide the development of new electrode materials with enhanced electrochemical properties for high-performance energy storage applications.

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Preparation of FeCoNi medium entropy alloy from Fe^(3+)-Co^(2+)-Ni^(2+)solution system

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 92-101页

作者： Zongyou Cheng Qing Zhao Mengjie Tao Jijun Du Xingxi Huang Chengjun Liu Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China School of Metallurgy Northeastern UniversityShenyang 110819China Engineering Research Center of Frontier Technologies for Low-carbon Steelmaking(Ministry of Education) Shenyang 110819China

In recent years,medium entropy alloys have become a research hotspot due to their excellent physical and chemical *** controlling reasonable elemental composition and processing parameters,the medium entropy alloys can exhibit similar properties to high entropy alloys and have lower *** this paper,a FeCoNi medium entropy alloy precursor was prepared via sol-gel and coprecipitation methods,respectively,and FeCoNi medium entropy alloys were prepared by carbothermal and hydrogen *** phases and magnetic properties of FeCoNi medium entropy alloy were *** showed that FeCoNi medium entropy alloy was produced by carbothermal and hydrogen reduction at 1500℃.Some carbon was detected in the FeCoNi medium entropy alloy prepared by carbothermal *** alloy prepared by hydrogen reduction was uniform and showed a relatively high ***,the hydrogen reduction product exhibited better saturation magnetization and lower coercivity.

关键词： medium entropy alloy sol-gel co-precipitation carbothermal hydrogen reduction

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Robust facial expression recognition via lightweight reinforcement learning for rehabilitation robotics

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Optoelectronics Letters 2025年第2期21卷 97-104页

作者： CHEN Yifan FAN Weiming GAO Hongwei YU Jiahui JU Zhaojie School of Computing University of Portsmouth School of Automation and Electrical Engineering Shenyang Ligong University Department of Biomedical Engineering Zhejiang University

This paper proposes a lightweight reinforcement network (LRN) and auxiliary label distribution learning (ALDL)based robust facial expression recognition (FER) *** designed representation reinforcement (RR) network mainly comprises two modules,i.e.,the RR module and the auxiliary label space construction (ALSC) *** RR module highlights key feature messaging nodes in feature maps,and ALSC allows multiple labels with different intensities to be linked to one ***,LRN has a more robust feature extraction capability when model parameters are greatly reduced,and ALDL is proposed to contribute to the training effect of LRN in the condition of ambiguous training *** tested our method on FER-Plus and RAF-DB datasets,and the experiment demonstrates the feasibility of our method in practice during rehabilitation robots.

关键词： Reinforcement learning

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High-performance poly(aromatic pyridine) copolymers with crown ether moieties for high temperature polymer electrolyte membrane fuel cells

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science China Chemistry 2025年

作者： Qian Wang Songhao Zhao Yunpeng Guo Wei Wei Lele Wang Jingshuai Yang Department of Chemistry College of Sciences Northeastern University Institute of Metal Research Chinese Academy of Sciences

This study concentrates on the development of high temperature polymer electrolyte membranes（HT-PEMs）, which are essential components for HT-PEM fuel cells（HT-PEMFCs）. Although the phosphoric acid（PA）-doped polybenzimidazole（PBI） has been regarded as the successful HT-PEM, this system still suffers from several challenges, including the use of carcinogenic monomers, complex synthesis procedures, and poor solubility in organic solvents. To develop more cost-effective, readily synthesized and high-performance alternatives, this study employs a simply superacid-catalyzed Friedel-Crafts reaction to synthesize a series of poly（triphenyl-co-dibenzo-18-crown-6 pyridine） copolymers, denoted as P(TPx%-co-CEy%), using ptriphenyl, dibenzo-18-crown-6 and 4-acetylpyridine as monomers. The copolymerized hydrophilic and bulky crown ether unites introduce large free volumes and multiple interaction sites with PA molecules, as elucidated by theoretical *** microphase separation structures are formed as confirmed by atomic force microscope（AFM）, transmission electron microscopy（TEM） and small-angle X-ray scattering（SAXS）. Thus P(TPx%-co-CEy%) membranes exhibit excellent PA absorption and proton conduction abilities. For example, after immersing in 85 wt% PA at 30 °C, the P(TP91%-co-CE9%) membrane achieves a PA doping content of 205% and a high conductivity of 0.138 S cm-1at 180 °C, while maintaining a tensile strength of 7.5 MPa at room temperature. Without humidification and backpressure, the peak power density of an H2-O2cell equipped with P(TP91%-co-CE9%)/205%PA reaches nearly 1200 mW cm-2, representing one of the highest performances reported for PA-doped HT-PEMs to date. This work demonstrates the enormous potential of poly（triphenyl-co-crown ether pyridine） membranes in the HT-PEMFC applications.

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ABRUPT DEFLECTED SUPERCRITICAL WATER FLOW IN SLOPED CHANNELS

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Journal of Hydrodynamics 2008年第3期20卷 293-298页

作者： LIU Ya-kun NI Han-gen State Key Laboratory of Coastal and Offshore Engineering Dalian University of Technology Dalian 116024China

The effect of the bottom slope on abrupt deflected supercritical water flow was experimentally and theoretically studied. Model tests were conducted in a flume of 1.2 m wide and 2.6 m long with sloped bottom at an angle 35.54°, its length of deflector was 0.2 m and the deflection angles were 15° and 30°. An approximate method for calculating the shock wave angle and depth ratio of the abrupt deflected supercritical water flow was suggested, and a correction coefficient for the hydrodynamic pressure was introduced to generalize the momentum equation in the direction perpendicular to the shock front. It must be noticed that in the sloped channel the shock wave angle and the depth ratio are no longer constant as those in the horizontal channels, but slowly change along the shock front. The calculated results are in good agreement with measured data.

关键词： shock wave abrupt deflection of supercritical water flow slopping channel

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Low-temperature chlorination roasting technology for the simultaneous recovery of valuable metals from spent LiCoO_(2)cathode material

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 80-91页

作者： Junjie Shi Changle Hou Jingjing Dong Dong Chen Jianzhong Li Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China School of Metallurgy Northeastern UniversityShenyang 110819China

With the continuous increase in the disposal volume of spent lithium-ion batteries(LIBs),properly recycling spent LIBs has become essential for the advancement of the circular *** study presents a systematic analysis of the chlorination roasting kinetics and proposes a new two-step chlorination roasting process that integrates thermodynamics for the recycling of LIB cathode *** activation energy for the chloride reaction was 88.41 kJ/mol according to thermogravimetric analysis–derivative thermogravimetry data obtained by using model-free,model-fitting,and Z(α)function(αis conversion rate).Results indicated that the reaction was dominated by the first-order(F1)model when the conversion rate was less than or equal to 0.5 and shifted to the second-order(F2)model when the conversion rate exceeded *** conditions were determined by thoroughly investigating the effects of roasting temperature,roasting time,and the mass ratio of NH_(4)Cl to LiCoO_(2).Under the optimal conditions,namely 400℃,20 min,and NH_(4)Cl/LiCoO_(2)mass ratio of 3:1,the leaching efficiency of Li and Co reached 99.43% and 99.05%,*** of the roasted products revealed that valuable metals in LiCoO_(2)transformed into CoCl_(2) and ***,the reaction mechanism was elucidated,providing insights for the establishment of a novel low-temperature chlorination roasting technology based on a crystal structure *** technology can guide the development of LIB recycling processes with low energy consumption,low secondary pollution,high recovery efficiency,and high added value.

关键词： spent lithium-ion battery thermodynamics chlorination roasting kinetics circular economy

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Spontaneous Orientation Polarization of Anisotropic Equivalent Dipoles Harnessed by Entropy Engineering for Ultra‑Thin Electromagnetic Wave Absorber

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Nano-Micro Letters 2025年第1期17卷 424-438页

作者： Honghan Wang Xinyu Xiao Shangru Zhai Chuang Xue Guangping Zheng Deqing Zhang Renchao Che Junye Cheng liaoning Key Lab of Lignocellulose Chemistry and BioMaterials Liaoning Collaborative Innovation Center for Lignocellulosic BiorefinerySchool of Light Industry and Chemical EngineeringDalian Polytechnic UniversityDalian 116034People’s Republic of China School of Life science and Biotechnology Dalian University of TechnologyDalian 116024People’s Republic of China Department of Mechanical Engineering Hong Kong Polytechnic UniversityHung HomKowloonHong Kong 999077People’s Republic of China School of Materials science and Engineering Qiqihar UniversityQiqihar 161006People’s Republic of China Laboratory of Advanced Materials Shanghai Key Lab of Molecular Catalysis and Innovative MaterialsAcademy for Engineering&TechnologyFudan UniversityShanghai 200438People’s Republic of China Department of Materials science Shenzhen MSU-BIT UniversityShenzhen 517182People’s Republic of China

The synthesis of carbon supporter/nanoscale high-entropy alloys(HEAs)electromagnetic response composites by carbothermal shock method has been identified as an advanced strategy for the collaborative competition engineering of conductive/dielectric *** migration modes within HEAs as manipulated by the electronegativity,valence electron configurations and molar proportions of constituent elements determine the steady state and efficiency of equivalent ***,enlightened by skin-like effect,a reformative carbothermal shock method using carbonized cellulose paper(CCP)as carbon supporter is used to preserve the oxygencontaining functional groups(O·)of carbonized cellulose fibers(CCF).Nucleation of HEAs and construction of emblematic shell-core CCF/HEAs heterointerfaces are inextricably linked to carbon metabolism induced by O·.Meanwhile,the electron migration mode of switchable electronrich sites promotes the orientation polarization of anisotropic equivalent *** virtue of the reinforcement strategy,CCP/HEAs composite prepared by 35%molar ratio of Mn element(CCP/HEAs-Mn_(2.15))achieves efficient electromagnetic wave(EMW)absorption of−51.35 dB at an ultra-thin thickness of 1.03 *** mechanisms of the resulting dielectric properties of HEAs-based EMW absorbing materials are elucidated by combining theoretical calculations with experimental characterizations,which provide theoretical bases and feasible strategies for the simulation and practical application of electromagnetic functional devices(e.g.,ultra-wideband bandpass filter).

关键词： High-entropy alloys Carbothermal shock Switchable electron migration modes Emblematic shell-core heterointerfaces Ultra-thin thickness

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An Optimization Model for the Production Planning of Overall Refinery

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Chinese Journal of Chemical Engineering 2008年第1期16卷 67-70页

作者：高振唐立新金辉徐楠楠 The Logistics Institute Northeastern University Shenyang 110004 liaoning Institute of Technology Jinzhou 121001 China

This article addresses a production planning optimization problem of overall refinery. The authors formulated the optimization problem as mixed integer linear programming. The model considers the main factors for optimizing the production plan of overall refinery related to the use of run-modes of processing units. The aim of this planning is to decide which run-mode to use in each processing unit in each period of a given horizon, to satisfy the demand, such as the total cost of production and inventory is minimized. The resulting model can be regarded as a generalized lot-sizing problem where a run-mode can produce and consume more than one product. The resulting optimization problem is large-sized and NP-hard. The authors have proposed a column generation-based algorithm called branch-and-price （BP） for solving the interested optimization problem. The model and implementation of the algorithm are described in detail in this article. The computational results verify the effectiveness of the proposed model and the solution method.

关键词： refinery planning lot-sizing optimization column generation

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Strategic integration of 2D perovskite and chiral quantum dot hybrid heterostructures for superior CPL detection

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science China Technological sciences 2025年第1期 368-377页

作者： Jiahe YAN Xi ZHANG Lei LIU Hualin BI Mengke WANG Jing LI Jun WANG Department of Chemistry College of SciencesNortheastern University Technical Institute of Physics and Chemistry Chinese Academy of Sciences

Circularly polarized light（CPL） detection has garnered significant research interest due to its extensive applications in optoelectronics and quantum *** perovskites possess CPL detection capabilities due to their inherent ***,incorporating organic amine spacers distorts the crystal lattice,resulting in defects that reduce the sensitivity of CPL *** study introduces the concept of chiral superposition for the first time,reporting two mixed heterostructures composed of two-dimensional（2D） chiral perovskite（R/S-MBA）2MAPb2I7（R/S）,chiral quantum dots（R/S-MBA）-CsPbBr3（R/SQD）,and chiral carbon dots（Ch-CDs）.The addition of chiral quantum dots/Ch-CDs fills the defects of the chiral perovskite films and reduces the electron-hole recombination rate in chiral hybrid perovskites,thereby significantly enhancing the circularly polarized sensitivity of the CPL *** adjusting the concentration of chiral quantum dots,controllability of spin electron transfer is achieved,which has a notable impact on circular dichroism（CD） and anisotropy factor *** anisotropy factor glhpof the mixed heterostructure R/S-R/SQD is approximately 21.58 times higher than that of single-phase chiral perovskites,and the asymmetry factor gCDincreases ***,this work opens up a new effective pathway for achieving high-sensitivity CPL detection,with promising applications in optoelectronic technologies such as spin information communication and quantum optics.

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