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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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CaH2-promoted activity of Ni-carbonate interface for CO2 methanation

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journal of energy Chemistry 2025年第1期100卷 522-532页

作者： jin-Peng Wang guo-Cui Mao Hui-Lin jiang Bao-Xia Dong Yun-Lei Teng School of Chemistry and Chemical engineering Yangzhou University

Transition metal-carbonate interfaces often act as active sites in heterogeneous catalytic *** interface between transition metal and metal carbonate exhibits a dynamic equilibrium during the CO2hydrogenation reaction,involving surface carbonate hydrogenation and ***,there have been few reports on engineering the activity of the interface between transition metal and alkaline earth metal carbonate for catalytic *** work demonstrated that the incorporation of CaH2in Ni/CaCO3enhances the CO2methanation activity of the *** CO2conversion for Ni/CaH2-CaCO3reached 68.5%at 400°C,which was much higher than that of the Ni/CaCO3（31.6%） and Ni/CaH2-CaO （42.4%） ***,the Ni/CaH2-CaCO3catalysts remained stable during the stability test for 24 h at 400°C and 8 *** research revealed that CaH2played a crucial role in promoting the activity of the Ni-carbonate interface for ***2could modify the electronic structure of Ni and tune the structural properties of CaCO3to generate medium basic sites （OH groups）,which are favorable for the activation of H2and ***-situ Fourier transform infrared spectroscopy （FTIR） analysis combined with density functional theory calculations demonstrated that CO2activation occurs at the hydroxyl group （OH） on the CaH2-modified Ni-carbonate surface,leading to the formation of CO3H****,our study has confirmed that CO2methanation over the Ni/CaH2-CaCO3catalysts proceeds via the formate pathway.

关键词： Metal hydride Ni catalysts Carbonate Metal-carbonate interface

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Sequence-activated chemiluminescence probes: programmable illumination for high-contrast in vivo sensing and imaging

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Science China Chemistry 2025年第01期 26-34页

作者： Yutao Zhang juan Li Wei-Hong Zhu Zhiqian guo Shanghai Key Laboratory of Functional Materials Chemistry Joint International Research Laboratory of Precision Chemistry and Molecular Engineering Institute of Fine Chemicals School of Chemistry and Molecular Engineering East China University of Science and Technology State Key Laboratory of Bioreactor engineering Shanghai Frontier Science Research Base of Optogenetic Techniques for Cell MetabolismEast China University of Science & Technology

Sequence-activated chemiluminescence(CL) technique offers a unique approach to detecting specific biomolecules or cellular events with high sensitivity and spatial resolution. The fundamental principle behind sequence-activated CL probes involves tailoring highly-controllable CL signals in response to specific sequences or events of interest, thus enabling high-contrast signals under complex physiological conditions. This sequential activation could be triggered by enzymes, reactive oxygen species(ROS), biothiols or changes in the microenvironment. These unique sequence-activated CL probes bestow several advantages, including minimal background, deep-tissue penetration, and the ability of non-invasive or minimally invasive detection. The sequence-activated CL techniques represent a significant advancement in molecular imaging and diagnostics. In this mini-review, we focus on the latest developments in sequential CL probes, addressing the technical challenges and discussing the future trajectory by harnessing CL signaling and molecular recognition.

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Rock fracture mechanism of buffer blasting with cushion layer at the borehole bottom

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International journal of Minerals,Metallurgy and Materials 2025年第2期32卷 325-334页

作者： Xinguang Zhu Chenxi Ding Zhe Sui Hong Su Xu guo School of Civil and Resources engineering University of Science and Technology BeijingBeijing 100083China Key Laboratory for Mechanics in Fluid Solid Coupling Systems Institute of MechanicsChinese Academy of SciencesBeijing 100190China School of Mechanics and Civil engineering China University of Mining and Technology(Beijing)Beijing 100083China School of Chemical and Blasting engineering Anhui University of Science and TechnologyHuainan 232001China

This study primarily investigates the rock fracture mechanism of bottom cushion layer blasting and explores the effects of the bottom cushion layer on rock *** involves analyses of the evolution patterns of blasting stress,characteristics of crack distribution,and rock fracture features in the ***,blasting model experiments were carried out using the dynamic caustics principle to investigate the influence of bottom cushion layers and initiation methods on the integrity of the bottom rock *** experimental results indicate that the combined use of bottom cushion layers and inverse initiation effectively protects the integrity of the bottom rock ***,the process of stress wave propagation and dynamic crack propagation in rocks was simulated using the continuum-discontinuum element method(CDeM)and the Landau explosion source model,with varying thicknesses of bottom cushion *** numerical simulation results indicate that with increasing cushion thickness,the absorption of energy generated by the explosion becomes more pronounced,resulting in fewer cracks in the bottom rock *** illustrates the positive role of the cushion layer in protecting the integrity of the bottom rock mass.

关键词： bottom cushion layer blasting crack propagation continuum-discontinuum element method dynamic stress intensity factor

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NeCAB family of neuronal calcium-binding proteins in health and disease

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Neural Regeneration Research 2025年第5期20卷 1236-1243页

作者： Diones Bueno Michael K.e.Schafer Sudena Wang Michael j.Schmeisser Axel Methner Institute for Molecular Medicine University Medical Center of the Johannes Gutenberg-UniversityMainzGermany Department of Anesthesiology University Medical Center of the Johannes Gutenberg-UniversityMainzGermany Institute of Anatomy University Medical Center of the Johannes Gutenberg-UniversityMainzGermany

The N-terminal eF-hand calcium-binding proteins 1–3(NeCAB1–3) constitute a family of predominantly neuronal proteins characterized by the presence of at least one eF-hand calcium-binding domain and a functionally less well characterized C-terminal antibiotic biosynthesis monooxygenase domain. All three family members were initially discovered due to their interactions with other proteins. NeCAB1 associates with synaptotagmin-1, a critical neuronal protein involved in membrane trafficking and synaptic vesicle exocytosis. NeCAB2 interacts with predominantly striatal G-protein-coupled receptors, while NeCAB3 partners with amyloid-β A4 precursor protein-binding family A members 2 and 3, key regulators of amyloid-β production. This demonstrates the capacity of the family for interactions with various classes of proteins. NeCAB proteins exhibit distinct subcellular localizations: NeCAB1 is found in the nucleus and cytosol, NeCAB2 resides in endosomes and the plasma membrane, and NeCAB3 is present in the endoplasmic reticulum and Golgi apparatus. The antibiotic biosynthesis monooxygenase domain, an evolutionarily ancient component, is akin to atypical heme oxygenases in prokaryotes but is not wellcharacterized in vertebrates. Prokaryotic antibiotic biosynthesis monooxygenase domains typically form dimers, suggesting that calcium-mediated conformational changes in NeCAB proteins may induce antibiotic biosynthesis monooxygenase domain dimerization, potentially activating some enzymatic properties. However, the substrate for this enzymatic activity remains uncertain. Alternatively, calcium-mediated conformational changes might influence protein interactions or the subcellular localization of NeCAB proteins by controlling the availability of protein–protein interaction domains situated between the eF hands and the antibiotic biosynthesis monooxygenase domain. This review summarizes what is known about genomic organization, tissue expression, intracellular localization, interac

关键词： calcium eF hand mitochondria nervous system signal transduction

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Interfacial Zn2+-solvation regulator towards reversible and stable Zn anode

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journal of energy Chemistry 2025年第1期100卷 684-692页

作者： Miao Zhou Xiongbin Luo Hang Li Shan guo Zhuang Tong Xiaotao Zhou Xu Li Zhaohui Hou Shuquan Liang guozhao Fang College of Mechanical engineering Key Laboratory of Hunan Province for Advanced Carbon-based Functional Materials Hunan Institute of Science and Technology School of Materials Science and engineering Key Laboratory of Electronic Packaging and Advanced Functional Materials of Hunan Province Central South University College of Materials and Metallurgy Guizhou University National energy Metal Resources and New Materials Key Laboratory Central South University

Aqueous zinc-ion batteries （AZIBs） are fundamentally challenged by the instability of the electrode/electrolyte interface,predominantly due to irreversible zinc （Zn） deposition and hydrogen ***,the intricate mechanisms behind the electrochemical discrepancies induced by interfacial Zn2+-solvation and deposition behavior demand comprehensive *** molecules endowed with special functional groups （such as hydroxyl,carboxyl,etc.） have the potential to significantly optimize the solvation structure of Zn2+and regulate the interfacial electric double layer （eDL）.By increasing nucleation overpotential and decreasing interfacial free energy,these functional groups facilitate a lower critical nucleation radius,thereby forming an asymptotic nucleation model to promote uniform Zn ***,this study presents a pioneering approach by introducing trace amounts of n-butanol as solvation regulators to engineer the homogenized Zn （H-Zn） anode with a uniform and dense *** interfacial reaction and structure evolution are explored by in/ex-situ experimental techniques,indicating that the H-Zn anode exhibits dendrite-free growth,no by-products,and weak hydrogen evolution,in sharp contrast to the bare ***,the H-Zn anode achieves a remarkable Zn utilization rate of approximately 20% and simultaneously sustains a prolonged cycle life exceeding 500 ***,the H-Zn//NH4V4O10（NVO） full battery showcases exceptional cycle stability,retaining 95.04%capacity retention after 400 cycles at a large current density of 5 A *** study enlightens solvation-regulated additives to develop Zn anode with superior utilization efficiency and extended operational lifespan.

关键词： Aqueous zinc-ion batteries Interfacial reaction Asymptotic nucleation model Reversible and stable Zn anode

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Plasmonic tandem heterojunctions enable high-efficiency charge transfer for broad spectrum photocatalytic hydrogen production

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journal of energy Chemistry 2025年第1期100卷 710-720页

作者： Wenxuan Chen Xiu-Qing Qiao guo Hui Bojing Sun Dongfang Hou Meidi Wang Xueqian Wu Tao Wu Dong-Sheng Li College of Materials and Chemical engineering Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials China Three Gorges University Hubei Three Gorges Laboratory College of Chemistry and Materials Science and Guangdong Provincial Key Laboratory of Supramolecular Coordination Chemistry Jinan University

Rational engineering of semiconductor photocatalysts for efficient hydrogen production is of great significance but still challenging,primarily due to the limitations in charge transfer ***,a fascinating plasmonic tandem heterojunction with the hc-CdS/Mo2C@C heterostructure is aimfully prepared for effectively promoting the charge separation kinetics of the CdS photocatalyst via the synergistic strategy of phase.j.nction,Schottky junction,and photothermal *** difference in atomic configuration between cubic-CdS （c-CdS） and hexagonal-CdS （h-CdS） leads to effective charge separation through a typical Ⅱ charge transfer mechanism,and plasmonic Schottky junction further extracts the electrons in the hc-CdS phase.j.nction to realize gradient charge ***,the photothermal effect of Mo2C@C helps to expand the light absorption,accelerate charge transfer kinetics,and reduce the hydrogen evolution energy *** carbon layer provides a fast channel for charge transfer and protects the photocatalyst from *** a result,the optimized hc-CMC photocatalyst exhibits a significantly high photocatalytic H2production activity of 28.63 mmol/g/h and apparent quantum efficiency of 61.8%,surpassing most of the reported *** study provides a feasible strategy to enhance the charge transfer kinetics and photocatalytic activity of CdS by constructing plasmonic tandem heterogeneous junctions.

关键词： Heterojunctions LSPR Photocatalyst Phase.j.nction Schottky junction Photothermal effect

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Ultra‑High Sensitivity Anisotropic Piezoelectric Sensors for Structural Health Monitoring and Robotic Perception

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Nano-Micro Letters 2025年第2期17卷 432-446页

作者： Hao Yin Yanting Li Zhiying Tian Qichao Li Chenhui jiang enfu Liang Yiping guo State Key Laboratory of Metal Matrix Composites School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240People’s Republic of China Be.j.ng Vacuum electronics Research Institute Beijing 100015People’s Republic of China Fundamental Science On Vibration Shock and Noise LaboratoryState Key Laboratory of Mechanical System and VibrationSchool of Mechanical EngineeringShanghai Jiao Tong UniversityShanghai 200240People’s Republic of China

Monitoring minuscule mechanical signals,both in magnitude and direction,is imperative in many application scenarios,e.g.,structural health monitoring and robotic sensing ***,the piezoelectric sensor struggles to satisfy the requirements for directional recognition due to the limited piezoelectric coefficient matrix,and achieving sensitivity for detecting micrometer-scale deformations is also ***,we develop a vector sensor composed of lead zirconate titanate-electronic grade glass fiber composite filaments with oriented arrangement,capable of detecting minute anisotropic *** as-prepared vector sensor can identify the deformation directions even when subjected to an unprecedented nominal strain of 0.06%,thereby enabling its utility in accurately discerning the 5μm-height wrinkles in thin films and in monitoring human pulse *** ultra-high sensitivity is attributed to the formation of porous ferroelectret and the efficient load transfer efficiency of continuous lead zirconate titanate ***,when integrated with machine learning techniques,the sensor’s capability to recognize multi-signals enables it to differentiate between 10 types of fine textures with 100%*** structural design in piezoelectric devices enables a more comprehensive perception of mechanical stimuli,offering a novel perspective for enhancing recognition accuracy.

关键词： Flexible piezoelectric filaments Anisotropic Ultra-high sensitivity Structural health detection Texture recognition

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Seasonal Dynamics of Turbidity Maximum in the Muthupet estuary, India

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journal of Ocean University of China 2015年第5期14卷 765-777页

作者： PRIYA K.L. jeGATHAMBAL P. jAMeS e.j. School of Civil engineering Karunya University

Results are presented of the longitudinal and vertical profiling of salinity and suspended particulate matter(SPM) at the Muthupet estuary, India, during a one year period under widely varying freshwater flow conditions. Freshwater flow was available during post-monsoon and monsoon. An up-estuary shift in the location of estuarine turbidity maxima(eTM) was observed during the transition from post-monsoon to pre-monsoon and further it shifted downstream during the transition from pre-monsoon to monsoon, thereby exhibiting a pronounced seasonal cycle. The salinity intrusion was dependent on the freshwater discharge and was expressed as a power function of freshwater flow, explaining 97% of the variance. The formation of a salt plug in Muthupet estuary and its seasonal dynamics were observed, which is not an identified feature of any of the Indian estuaries studied so far. The geographical positions of salt plug and eTM core were more or less the same during their formation. The occurrence of two eTM during the LW of post-monsoon and the absence of eTM during monsoon explains the strong seasonal variation in the formation of eTM. The primary factor affecting the formation of eTM was identified as the freshwater flow over an annual cycle; the resuspension of sediments by tidal current affecting the formation on a flood/ebb cycle was secondary. The extent of shift of eTM was found to be an inverse logarithmic function of the freshwater discharge. The separation between eTM intrusion and salinity intrusion increased two fold with the increase in eTM intrusion.

关键词： estuarine turbidity maximum salinity intrusion suspended particulate matter salt plug Muthupet estuary, India

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A linear regression model (LRM) for groundwater chemistry in and around the Vaniyambadi industrial area, Tamil Nadu, India

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Chinese.j.urnal Of Geochemistry 2013年第1期32卷 19-26页

作者： Sajil Kumar P.j. Davis Delson P. Vernon j.G. james e.j. Brandenburg Technical University Cottbus-03046 Germany ITALCONSULT Riyadh-11421 Saudi Arabia Budapest University of Technology and economics (BMe) Budapest-Pf. 91 H-152 Hungary Water Institute Karunya UniversityCoimbatore-641114 India

A linear regression model in conjunction with cluster analysis was applied to the groundwater quality parameters for the Vaniyambadi industrial area, Tamil Nadu, India. These physico-chemical parameters were collected from 25 wells by intensive groundwater sampling conducted during january 2010. All the major ions, pH and electrical conductivity were analyzed. The abundances of cations were in the order of Na e of anions were in the order of Cl espectively. This was in agreement with the water types, Na-Cl and Na-Ca-HCO3, determined by the Piper plot. High concentrations of the ions Na, Cl and SO4 were recorded near the tanneries that operate within the study area. While the elevated concentrations of HCO3 and F were observed away from the tanneries. This peculiar hydrochemical behaviour suggests that the chemistry of water is predominantly influenced by tannery effluents and weathering of silicate minerals. Results of the linear regression model yielded 11 regression equations for the 5 most correlated parameters. A dendrogram from the cluster analysis showed 2 major clusters representing the influence of tanneries and geological formations in the study area, which confirmed the results of major ion chemistry.

关键词：线性回归模型地下水化学工业区印度 LRM 聚类分析物理化学参数研究区域

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