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Deciphering the role of ultra-low-loaded rhodium in NiFe-MIL-53 for superior oxygen evolution reaction

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Journal of Energy Chemistry 2025年第1期100卷 77-86页

作者： Jinzhi Jia Jinhua Zhang Kailu Guo Lanyue Zhang Gening Du Hao You Junfeng Huang Mudong Tu Hua Li Yong Peng Wei Dou Cailing Xu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical Engineering School of Materials and Energy Lanzhou University college of Chemistry and Chemical engineering Luoyang Normal University

Designing highly active and stable electrocatalysts of oxygen evolution reaction （OER） is one of the crucial *** this study,a novel OER electrocatalyst,NiFe-MIL-53 modified with ultra-low rhodium（Rh@NiFe-MIL-53）,is successfully prepared via the hydrothermal ***-situ Raman spectroscopy and electrochemical impedance spectroscopy reveal that the doped Rh accelerates the phase transformation of NiFe-MIL-53 and the in-situ formed Rh@NiFeOOH is the actual active *** importantly,the enhanced reversibility of electrochemical reconstruction between NiFeOOH and NiFe（OH）2after doping Rh is beneficial for improving the electrochemical stability of the catalyst.X-ray photoelectron spectroscopy spectra show the strong electronic interaction between single-atom Rh and Ni/Fe in Rh@***,theoretical calculations confirm that the integration of single-atom Rh into the NiFeOOH successfully reduces the band gap,regulates the d-band center （εd）,accelerates the charge transfer,and optimizes the adsorption behavior of oxygen-containing intermediates,thereby lowering the energy barrier of rate-determining ***,the optimized Rh@NiFe-MIL-53 exhibits excellent OER activity （240 mV） with a small Tafel slope of 48.2 mV dec-1and long-term durability (over1270 h at 10 m A cm-2and 110 h at 200 mA cm-2).This work presents a new perspective on designing highly efficient OER electrocatalysts.

关键词： X ray photoelectron spectroscopy

Estimation of Chloride Diffusivity in Hydrated Tricalcium Silicate Using a Hydration-Diffusion Integrated Method

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 49-64页

作者： WANG Xin SHEN Dejian TAO Sijie LIU Ruixin WU Shengxing college of Civil and Transportation engineering Hohai UniversityNanjing 210098China

This study aims to develop a chloride diffusion simulation method that considers the hydration microstructure and pore solution properties during the hydration of tricalcium silicate(C3S).The method combines the hydration simulation,thermodynamic calculation,and finite element analysis to examine the effects of pore solution,including effect of electrochemical potential,effect of chemical activity,and effect of mechanical interactions between ions,on the chloride effective diffusion coefficient of hydrated C3S *** results indicate that the effect of electrochemical potential on chloride diffusion becomes stronger with increasing hydration age due to the increase in the content of hydrated calcium silicate;as the hydration age increases,the effect of chemical activity on chloride diffusion weakens when the number of diffusible elements decreases;the effect of mechanical interactions between ions on chloride diffusion decreases with the increase of hydration age.

关键词： tricalcium silicate simulation method chloride diffusion coefficient pore solution

Resistance of Cement-based Grouting Materials with Nano- SiO_(2) Emulsion to Chloride Ion Penetration

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 114-119页

作者： LI Shuiping CHENG Jian WEI Chao YUAN Bin YU Chengxiao college of Architectural Science and engineering Yangzhou UniversityYangzhou 225127China

The chloride penetration resistance of cement-based grout materials was improved by nano-silica *** of mixtures containing different nano-silica particles or emulsions were exposed in sodium chloride solutions of specific concentrations with different test *** properties of the mixes were assessed in terms of weight loss and compressive strength.X-ray diffraction(XRD)and scanning electron microscopy(SEM)of mixes were performed to analysis the phase evolution and *** results demonstrated that the introduction of nano-SiO_(2) emulsion significantly decreased the compressive strength loss and calcium hydroxide(CH)crystal content of hydration production,and then enhanced the resistance of cement-based grouting materials to chloride ion *** improvement derives from the filling and pozzolanic effects of nano-SiO_(2) particles,which were incorporated via an emulsion and attributed to a well dispersion in grouting matrix.

关键词： grouting materials nano-SiO_(2)emulsion chloride ion penetration,weight loss strength loss

Fabrication and Mechano-sensing Characteristics of Bending Polypyrrole Actuator

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 240-245页

作者： CHEN Jinyou HU Wei School of Automotive engineering Hunan Financial&Industrial Vocational-technical CollegeHengyang 421002China college of Mechanical and Electrical engineering Hunan Agricultural UniversityChangsha 410128China

To prepare a conductive polymer actuator with decent performance,a self-built experimental platform for the preparation of polypyrrole film is *** of the essential goals is to examine the mechanical characteristics of the actuator in the presence of various combinations of process parameters,combined with the orthogonal test method of"four factors and three levels".The bending and sensing characteristics of actuators of various sizes are methodically examined using a self-made bending polypyrrole *** functional relationship between the bending displacement and the output voltage signal is established by studying the characteristics of the actuator sensor subjected to various degrees of *** experimental results reveal that the bending displacement of the actuator tip almost exhibits a linear variation as a function of length and *** the voltage reaches 0.8 V,the bending speed of the actuator tends to be ***,the mechanical properties of the self-assembled polypyrrole actuator are verified by the design and fabrication of the microgripper.

关键词： conductive polymer polypyrrole mechanical characteristics actuators sensing characteristics

Unlocking the stable interface in aqueous zinc-ion battery with multifunctional xylose-based electrolyte additives

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Journal of Energy Chemistry 2025年第1期100卷 770-778页

作者： Xiaoqin Li Jian Xiang Lu Qiu Xiaohan Chen Yinkun Zhao Yujue Wang Qu Yue Taotao Gao Wenlong Liu Dan Xiao Zhaoyu Jin Panpan Li Institute for Advanced Study Chengdu University School of Mechanical engineering Chengdu University college of Food and Biological engineering Chengdu University Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China college of Materials Science and engineering Sichuan University

The growth of dendrites and the side reactions occurring at the Zn anode pose significant challenges to the commercialization of aqueous Zn-ion batteries（AZIBs）. These challenges arise from the inherent conflict between mass transfer and electrochemical kinetics. In this study, we propose the use of a multifunctional electrolyte additive based on the xylose（Xylo） molecule to address these issues by modulating the solvation structure and electrode/electrolyte interface, thereby stabilizing the Zn anode. The introduction of the additive alters the solvation structure, creating steric hindrance that impedes charge transfer and then reduces electrochemical kinetics. Furthermore, in-situ analyses demonstrate that the reconstructed electrode/electrolyte interface facilitates stable and rapid Zn2+ion migration and suppresses corrosion and hydrogen evolution reactions. As a result, symmetric cells incorporating the Xylo additive exhibit significantly enhanced reversibility during the Zn plating/stripping process, with an impressively long lifespan of up to 1986 h, compared to cells using pure ZnSO4electrolyte. When combined with a polyaniline cathode, the full cells demonstrate improved capacity and long-term cyclic stability. This work offers an effective direction for improving the stability of Zn anode via electrolyte design, as well as highperformance AZIBs.

关键词： Solvation

An Iterated Greedy Algorithm with Memory and Learning Mechanisms for the Distributed Permutation Flow Shop Scheduling Problem

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Computers, Materials & Continua 2025年第1期82卷 371-388页

作者： Binhui Wang Hongfeng Wang college of Information Science and engineering Northeastern UniversityShenyang110819China

The distributed permutation flow shop scheduling problem(DPFSP)has received increasing attention in recent *** iterated greedy algorithm(IGA)serves as a powerful optimizer for addressing such a problem because of its straightforward,single-solution evolution ***,a potential draw-back of IGA is the lack of utilization of historical information,which could lead to an imbalance between exploration and exploitation,especially in large-scale *** a consequence,this paper develops an IGA with memory and learning mechanisms(MLIGA)to efficiently solve the DPFSP targeted at the ***,we incorporate a memory mechanism to make a more informed selection of the initial solution at each stage of the search,by extending,reconstructing,and reinforcing the information from previous *** addition,we design a twolayer cooperative reinforcement learning approach to intelligently determine the key parameters of IGA and the operations of the memory ***,to ensure that the experience generated by each perturbation operator is fully learned and to reduce the prior parameters of MLIGA,a probability curve-based acceptance criterion is proposed by combining a cube root function with custom *** last,a discrete adaptive learning rate is employed to enhance the stability of the memory and *** ablation experiments are utilized to verify the effectiveness of the memory mechanism,and the results show that this mechanism is capable of improving the performance of IGA to a large ***,through comparative experiments involving MLIGA and five state-of-the-art algorithms on 720 benchmarks,we have discovered that MLI-GA demonstrates significant potential for solving large-scale *** indicates that MLIGA is well-suited for real-world distributed flow shop scheduling.

关键词： Distributed permutation flow shop scheduling makespan iterated greedy algorithm memory mechanism cooperative reinforcement learning

Effect of a Carbon Fibre-steel Fibre-graphite Conductive Filler on the Electrothermal Properties of Cementitious Materials

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 141-151页

作者： FAN Yanan WEI Hong ZHENG Hongyong DU Hongxiu Department of Architecture and Environmental engineering Taiyuan UniversityTaiyuan 030032China college of Civil engineering Taiyuan University of TechnologyTaiyuan 030032China

Carbon fibre,steel fibre and graphite were used as conductive fillers to prepare cementitious materials with excellent electrothermal *** electrically conductive cementitious materials with different volume dosages were analysed through compressive and flexural strength,electrochemical impedance spectroscopy and temperature rise *** equivalent circuit model was established to study the electrically conductive heat generation mechanism in the electrically conductive cementitious *** results indicate that the mechanical properties of cementitious composite materials with a ternary conductive phase are better than those of pristine cementitious materials because the fibrous filler improves their mechanical ***,the incorporation of graphite in the material reduces its *** fibrous and point-like conductive phase materials into the cementitious material enhances the overall conductive pathway and considerably reduces the electrical resistance of the cementitious material,enhancing its conductive *** volume ratios of carbon fibre,steel fibre and graphite that achieve an optimal complex doping in the cementitious material were 0.35%,0.6%and 6%,*** was determined using the mutation point of each circuit element parameter as the percolation *** addition,at a certain safety voltage,there is a uniform change between the internal and surface temperatures of the conductive cementitious material,and the heating effect in this materialis is considerably better than that in the pristine cementitious material.

关键词： cementitious composites conductive fillers electrothermal properties electrochemical impedance spectroscopy

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)

Joint Feature Encoding and Task Alignment Mechanism for Emotion-Cause Pair Extraction

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Computers, Materials & Continua 2025年第1期82卷 1069-1086页

作者： Shi Li Didi Sun college of Computer and Control engineering Northeast Forestry UniversityHarbin150040China

With the rapid expansion of social media,analyzing emotions and their causes in texts has gained significant ***-cause pair extraction enables the identification of causal relationships between emotions and their triggers within a text,facilitating a deeper understanding of expressed sentiments and their underlying *** comprehension is crucial for making informed strategic decisions in various business and societal ***,recent research approaches employing multi-task learning frameworks for modeling often face challenges such as the inability to simultaneouslymodel extracted features and their interactions,or inconsistencies in label prediction between emotion-cause pair extraction and independent assistant tasks like emotion and cause *** address these issues,this study proposes an emotion-cause pair extraction methodology that incorporates joint feature encoding and task alignment *** model consists of two primary components:First,joint feature encoding simultaneously generates features for emotion-cause pairs and clauses,enhancing feature interactions between emotion clauses,cause clauses,and emotion-cause ***,the task alignment technique is applied to reduce the labeling distance between emotion-cause pair extraction and the two assistant tasks,capturing deep semantic information interactions among *** proposed method is evaluated on a Chinese benchmark corpus using 10-fold cross-validation,assessing key performance metrics such as precision,recall,and F1 *** results demonstrate that the model achieves an F1 score of 76.05%,surpassing the state-of-the-art by 1.03%.The proposed model exhibits significant improvements in emotion-cause pair extraction(ECPE)and cause extraction(CE)compared to existing methods,validating its *** research introduces a novel approach based on joint feature encoding and task alignment mechanisms,contributing to advancements in emotion-c

关键词： Emotion-cause pair extraction interactive information enhancement joint feature encoding label consistency task alignment mechanisms