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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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Comparative chemical sensor for detection of chromium(Ⅵ) in aqueous solution

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Optoelectronics Letters 2025年第1期21卷 21-27页

作者： Sura H.AL-REKABI A.A.ALWAHIB Electrical Technique Department Al Suwayrah Technical Institute Middle Technical University Laser and Optoelectronics Department University of Technology-Iraq

A process for purifying aqueous solutions containing heavy and toxic metals such as chromium（Cr） has been investigated. One of the extremely harmful pollutants in rivers and seawater is the heavy metal ions due to their direct impacts on human, animals and plants are hexavalent Cr（Ⅵ）. Consequently, highly sensitive sensor to detect Cr is essential. Surface plasmon resonance（SPR） technique has attracted huge research interest in detecting heavy metals specifically. In this study, three types of prism-based SPR sensor, gold（Au）/silver（Ag）, Au/polyaniline（PANI） and Au/titanium dioxide（TiO2） nanostructured films, are investigated as potential sensing material to detect the presence of Cr（Ⅵ） ions in water. The base Au layer with thickness of 48.3 nm is deposited on a glass slide for all sensors. For Au/Ag, Au/PANI nanofibers and Au/TiO2sensor films, the Cr（Ⅵ） concentration is varied from 1 ppm to 15 ppm with sensitivity of 0.270 °ppm-1, 0.082 °ppm-1and 0.039 °ppm-1, respectively. Based on these results, the Au/PANI nanofibers are the most sensitive to Cr（Ⅵ） among the tested sensing materials.

关键词： Titanium dioxide

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Molecules “buckle up” to drive layered hybrid perovskites into single-crystal nanowires in water

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Science China Chemistry 2025年第1期68卷 3-4页

作者： Seokhyoung Kim Department of Chemistry Michigan State University

Layered 2D metal halide perovskites (MHPs) are one of the most exciting candidates for next-generation light sources owing to their outstanding optoelectronic properties. These properties are readily tunable by controlling the halide composition, number of inorganic layers, and the chemistry of organic cations. Another key element that can substantially impact the materials’ functionalities is crystal morphology [1].

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Artificial Circulation System Algorithm:A Novel Bio-Inspired Algorithm

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 635-663页

作者： NerminÖzcan Semih Utku Tolga Berber Department of Biomedical Technologies Dokuz Eylül UniversityIzmir35390Turkey Department of Biomedical Engineering Iskenderun Technical UniversityIskenderun31200Turkey Department of Computer Engineering Dokuz Eylül UniversityIzmir35390Turkey Department of Statistics and Computer Sciences Karadeniz Technical UniversityTrabzon61080Turkey

Metaheuristics are commonly used in various fields,including real-life problem-solving and engineering appli*** present work introduces a novel metaheuristic algorithm named the Artificial Circulatory System Algorithm(ACSA).The control of the circulatory system inspires it and mimics the behavior of hormonal and neural regulators involved in this *** work initially evaluates the effectiveness of the suggested approach on 16 two-dimensional test functions,identified as classical benchmark *** method was subsequently examined by application to 12 CEC 2022 benchmark problems of different ***,the paper evaluates ACSA in comparison to 64 metaheuristic methods that are derived from different approaches,including evolutionary,human,physics,and ***,a sequence of statistical tests was undertaken to examine the superiority of the suggested algorithm in comparison to the 7 most widely used algorithms in the existing *** results show that the ACSA strategy can quickly reach the global optimum,avoid getting trapped in local optima,and effectively maintain a balance between exploration and *** outperformed 42 algorithms statistically,according to post-hoc *** also outperformed 9 algorithms *** study concludes that ACSA offers competitive solutions in comparison to popüler methods.

关键词： Bio-inspired evolutionary heuristic metaheuristic optimization

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Experimental Study on Energy Storage Characteristics of Sintered Ore Particle Packed Beds

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Journal of Thermal Science 2025年第1期34卷 242-253页

作者： LAI Zhenya DING Liwei LYU Hongkun HOU Chenglong CHEN Jiaying GUO Xutao HAN Gaoyan ZHANG Kang state Grid Zhejiang Electric Power Research Institute state Key Laboratory of Clean Energy Utilization Zhejiang University

The particle packed bed energy storage system has advantages such as low costs and wide temperature ranges,which can be combined with solar thermal power generation systems to solve the inherent volatility and discontinuity of renewable *** new materials with low costs and excellent storage performances is one of the eternal research hotspots in the field of energy *** paper innovatively uses sintered ore particles as energy storage material and studies the effect of particle size on the airflow resistance characteristics,energy storage characteristics,and thermocline evolution characteristics of the packed bed through thermal energy storage *** results indicate that for the particles in the macro scale,the smaller the particle,the lower the absolute permeability of the bed and the greater the airflow *** packed bed with smaller particles has a larger specific surface area,larger bulk mass,and smaller bed ***,the packed beds with smaller particles have better thermocline characteristics,less irreversible loss,and can achieve higher thermal efficiency and higher exergy efficiency in the heat storage *** cycle thermal efficiency in packed beds with 25-40 mm,16-25 mm,and 10-16 mm particles is 53.58%,56.27%,and 57.60%,respectively,and the cycle exergy efficiency is 61.81%,69.25%,and 74.13%,***,this paper also studies the effect of discharging airflow rates on thermal storage *** experimental results indicate that suitable discharging strategies should be selected based on different heat demands.

关键词： airflow resistance particle packed bed thermal energy storage thermocline evolution

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Visualization of the protective role of estrogen against female liver fibrosis via an ER viscosity NIR fluorescent probe

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Science China Chemistry 2025年第1期68卷 360-368页

作者： Zheng Liu Changyu Zhang Zipeng Li Wanying Ma Jia Liu Xiang Xia Ning Xu Wen Sun Jianjun Du Jiangli Fan Xiaojun Peng state Key Laboratory of Fine Chemicals Dalian University of Technology Ningbo Institute of Dalian university of Technology

Endoplasmic reticulum(ER) viscosity has emerged as a new potential biomarker for hepatic fibrosis(HF). Herein, we report the first ER-targeting viscosity-responsive near-infrared(NIR) fluorescent probe HBT-PP for investigations of HF *** twisted intramolecular charge transfer(TICT) and the excited state intramolecular proton transfer(ESIPT) are combined to endow HBT-PP with the selective response towards viscosity(～62-fold) and a super large stokes shift(～320 nm). HBT-PP mainly targets organelle ER and is able to image the drug-or alcohol-induced viscosity elevation in living cells. Significantly,HBT-PP was successfully applied to visualize the gender difference in HF and the protective role of estrogen in restraining HF progression. Of note, after 10 min of stain with HBT-PP, HF lesions showed a stage-based response, indicating the potential of this probe in fast and early diagnosis of HF. These results clearly demonstrated the promising application of HBT-PP as a new tool for exploring ER viscosity-involved physiological and pathological processes.

关键词： NIR fluorescent probe ER viscosity hepatic fibrosis gender difference estrogen

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Infrared small target detection based on spatial attention density peaks searching

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Optoelectronics Letters 2025年第2期21卷 90-96页

作者： RAO Junmin LU Siyu LIU Shijian LI Fanming CAS Key Laboratory of Infrared System Detection and Imaging Technology Shanghai Institute of Technical Physics university of Chinese Academy of Sciences Shanghai Institute of technical Physics Chinese Academy of Sciences School of Information Science and Technology Shanghai Tech University

The detection of small targets poses a significant challenge for infrared search and tracking (IRST) systems,as they must strike a delicate balance between accuracy and *** this paper,we propose a detection algorithm based on spatial attention density peaks searching (SADPS) and an adaptive window selection ***,the difference-of-Gaussians (DoG) filter is introduced for preprocessing raw infrared ***,the image is processed by ***,an adaptive window selection scheme is applied to obtain window templates for the target scale ***,the small target feature is used to enhance the target and suppress the ***,the true targets are segmented through a *** experimental results show that compared with the seven state-of-the-art small targets detection baseline algorithms,the proposed method not only has better detection accuracy,but also has reasonable time consumption.

关键词： Infrared imaging

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Mysteries of Granular Planet

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Journal of Modern Physics 2013年第1期4卷 64-67页

作者： Mikhail N. Skachkov komsomolsk-on-amur state technical university Komsomolsk-on-Amur Russia

The behavior of self-organizing granular medium in its own gravitational field is considered. The study is led within an approach proposing the existence of only three types of mesoscopic states in the material: so named hydrostatic, columnar and arched mesoscopic states. The results of this study are not obvious. Indeed, in the center of granular gravitating ball, as it turns out, pressure may be absent, though it is well-known that the pressure in either non-compressible liquid or solid linear-elastic medium is maximal. Such an uncommon stress state takes place at the arched mesoscopic state. Using the Mohr-Coulomb condition has given that the arched state can embody when sinus of internal friction’s angle increases up to the threshold value 1/3. At the hydrostatic mesoscopic state granular medium is like a liquid. The study also has shown the transition between hydrostatic and non-hydrostatic stress states being sharp in granular gravitating ball that opposes the known results of the linear theory of elasticity. At the columnar mesoscopic state any gravitating granular ball cannot be.

关键词： Granular Media Gravitating Ball Self-Organization Mesoscopic state Phase Transition Stresses Radial Distribution

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Experimental study of dual nano-network, high-temperature resistant aerogel material as an integration of thermal management functions

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Journal of Energy Chemistry 2025年第1期100卷 157-170页

作者： Yueyue Xiao Tianke Mao Zun Zhao Yuelei Pan Heping Zhang Xudong Cheng state Key Laboratory of Fire Science University of Science and Technology of China

Thermal management system is highly desirable to guarantee the performance and thermal safety of lithium-ion batteries,but it reduces the energy density of battery modules and even is unable to provide highly effective ***,a thermal management function integrated material is presented based on high-temperature resistant aerogel and phase change material and is applied at both charge–discharge process and thermal runaway *** this sandwich structure Paraffin@SiC nanowire/Aerogel sheet （denoted as PA@SAS） system,SiC nanowires endow the middle aerogel sheet （SAS） a dual nano-network *** enhanced mechanical properties of SAS were studied by compressive tests and dynamic mechanical ***,the thermal conductivity of SAS at 600°C is only 0.042 W/（m K）.The surface phase change material layers facilitate temperature uniformity of batteries （surface temperature difference less than 1.82°C） through latent ***,a large-format battery module with four 58 Ah LiNi0.5Co0.2Mn0.3O2LIBs was ***@SAS successfully prevents thermal runaway propagation,yielding a temperature gap of 602°C through the 2 mm-thick cross ***@SAS also exhibits excellent performance in other safety issues such as temperature rise rate,flame heat flux,*** lightweight property and effective insulation performance achieves significant safety enhancement with mass and volume energy density reduction of only 0.79%and 5.4%,*** originality of the present research stems from the micro and macro structure design of the proposed thermal management material and the combination of intrinsic advantages of every *** work provides a reliable design of achieving the integration of thermal management functions into an aerogel composite and improves the thermal safety of lithium-ion batteries.

关键词： Thermal insulation

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Intermolecular reductive coupling of aliphatic ketones with alkynes and alkenes by BCN photocatalysts

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Science China Chemistry 2025年第1期68卷 181-185页

作者： Yanping Xia Luyang Sun Jiajia Cheng Sibo Wang Meifang Zheng Xinchen Wang state Key Laboratory of Photocatalysis on Energy and Environment College of Chemistry Fuzhou University

A photocatalytic process was developed for intermolecular reductive coupling of aliphatic ketones with alkynes/alkenes to furnish tertiary alcohols. Mechanistic studies support that boron carbonitrides(BCN) promote the single electron reduction of unactivated aliphatic ketones to generate ketyl radicals with visible light irradiation, which then react with alkynes and alkenes to afford the allylic and aliphatic alcohols, respectively. The heterogeneous photocatalytic system is compatible with diverse substrates including pharmaceutical-related molecules(43 examples) with reusability and scale-up experiments, verifying the complementary synthetic utility of this method to the homogeneous catalysts.

关键词： aliphatic ketones ketyl radical intermolecular cross-coupling tertiary alcohols

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