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Specific Heat Capacity and Coordination Number of Nano-Confined Transcritical Water

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Journal of Thermal Science 2025年第02期 498-509页

作者： ZHANG Bowei JIANG Kun ZHANG Jie JIN Hui State Key Laboratory of Multiphase Flow in power engineering(SKLMF) Xi'an Jiaotong University

In the field of nano energy,investigating the specific heat capacity and coordination number of nano-confined water is highly significant for gaining a better understanding of the energy and microstructure of confined *** this work,we employed the method of molecular dynamics（MD） simulation to calculate the specific heat capacity at constant volume and coordination number of water molecules confined in carbon nanotubes（CNTs） under different conditions（T=600-700 K,P=21.776 and 25 MPa,CNT diameter=0.949-5.017nm）.The results showed that near the critical point,the specific heat capacity at constant volume of confined water was lower than that of bulk water,and the energy fluctuation showed a trend of first increasing and then remaining unchanged with the increase of temperature and CNT *** them,the saturation point of temperature is 650 K（reduced pressure Pr=1） and 660 K（Pr=1.15）,and the saturation point of CNT diameter is 2.034 ***,the pseudo-critical temperature of confined water was the same as bulk water,and it increased with the increase of critical ***,with the increase of CNT diameter,the coordination number of confined water increased rapidly,and reaches the saturation state when the CNT diameter is 2.034 *** investigation revealed the mass and energy characteristics of nano-confined water near the critical point,which could provide guidance for the critical phase transition of nano-confined water.

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Vibration Theory of TBM Cutterhead and Its Application

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Yingyong Jichu yu Gongcheng Kexue Xuebao/Journal of Basic Science and engineering 2025年第1期33卷 205-212页

作者： Zhang, Zhaohuang Ji, Wei Cheng, Kefeng Gao, Qingfeng Sun, Fei School of Energy Power and Mechanical Engineering North China Electric Power University Beijing102206 China School of Foreign Languages North China Electric Power University Beijing102206 China

High vibration and energy consumption in the construction of full face rock tunnel boring machine (TBM) has been a difficult problem researched by experts in the field. Based on the cutterhead structure and through deformation analysis of the cutterhead during TBM construction, cutterhead vibration was divided into two types: longitudinal vibration generated in the TBM excavation direction and torsional vibration generated in the cutterhead rotation direction. Thus, two models were developed: longitudinal free vibration model and torsional free vibration *** conducting in-depth theoretical research,this paper presents the theory and methods for calculating the natural frequencies of both the longitudinal and torsional free vibrations of the cutterhead,the theory is used to solve for the natural frequencies of longitudinal and torsional vibrations of a TBM cutterhead. It is found that with the cutterhead quality unchanged,cutterhead longitudinal vibration free frequency is the cutterhead bearing radius and cutterhead thickness function;cutterhead torsional vibration free frequency is only the cutterhead thickness function;the minimum exists for the algebraic sum of the natural frequencies of longitudinal and torsional vibrations. The research method and results of the paper provide a theoretical basis and reference for circumventing the violent vibration of the TBM in construction. © 2025 Editorial Board of Journal of Basic Science and engineering. All rights reserved.

关键词： Vibration analysis

Revealing the Role of Hydrogen in Highly Efficient Ag-Substituted CZTSSe Photovoltaic Devices:Photoelectric Properties Modulation and Defect Passivation

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Nano-Micro Letters 2025年第4期17卷 166-180页

作者： Xiaoyue Zhao Jingru Li Chenyang Hu Yafang Qi Zhengji Zhou Dongxing Kou Wenhui Zhou Shengjie Yuan Sixin Wu The Key Laboratory for Special Functional Materials of MOE School of Nanoscience and Materials EngineeringNational and Local Joint Engineering Research Center for High-Efficiency Display and Lighting TechnologyCollaborative Innovation Center of Nano Functional Materials and ApplicationsHenan UniversityKaifeng 475004People’s Republic of China

The presence of SnZn-related defects in Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)absorber results in large irreversible energy loss and extra irreversible electron-hole non-radiative recombination,thus hindering the efficiency enhancement of CZTSSe *** the incorporation of Ag in CZTSSe can effectively suppress the SnZn-related defects and significantly improve the resulting cell performance,an excellent efficiency has not been achieved to date primarily owing to the poor electrical-conductivity and the low carrier density of the CZTSSe film induced by Ag ***,this study exquisitely devises an Ag/H co-doping strategy in CZTSSe absorber via Ag substitution programs followed by hydrogen-plasma treatment procedure to suppress SnZn defects for achieving efficient CZTSSe ***-depth investigation results demonstrate that the incorporation of H in Ag-based CZTSSe absorber is expected to improve the poor electrical-conductivity and the low carrier density caused by Ag ***,the C=O and O-H functional groups induced by hydrogen incorporation,serving as an electron donor,can interact with under-coordinated cations in CZTSSe material,effectively passivating the SnZn-related ***,the incorporation of an appropriate amount of Ag/H in CZTSSe mitigates carrier non-radiative recombination,prolongs minority carrier lifetime,and thus yields a champion efficiency of 14.74%,showing its promising application in kesterite-based CZTSSe devices.

关键词： CZTSSe Ag/H co-doping Photoelectric properties modulation Defect passivation Non-radiative recombination

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Experimental Research on a Feasible Building Insulation Material Based Reed in China

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Journal of Thermal Science 2025年第1期34卷 176-187页

作者： LIU Tiantian PENG Yizhe LIU Lifang CAI Chenghan WANG Shuang LI Hongqiang College of Civil engineering Hunan UniversityChangsha 410082China College of Civil engineering Hunan University of Science and TechnologyXiangtan 411201China School of Energy and power Jiangsu University of Science and TechnologyZhenjiang 212100China National center for International Research Collaboration in Building Safety and Environment(NCIRCBSE) Hunan UniversityChangsha 410082China Key Laboratory of Building Safety and Energy Efficiency of the Ministry of Education Hunan UniversityChangsha 410082China

The seemingly useless reeds are prepared as thermal insulation materials,which not only meet the requirements of environmental sustainability but also enhance the added value of reeds,creating new economic *** hydrophobicity of raw biomass surfaces leads to problems such as weak bonding strength and non-dense structure in the formed materials,as well as issues related to the residual insect infestations on the *** this study,reed straw was used as the raw material,and foamed geopolymer was used as the binder to prepare building insulation materials based *** improve the interfacial adhesion performance between reed straw and foamed geopolymer,a thermochemical modification method-thermal carbonization,was *** this study,the mechanical properties and hydraulic properties of the studied materials with different degrees of surface thermal modification were tested,especially the fire resistance performance,and weathering resistance performance rarely found in published *** the surface thermal modification condition of reed straw was 250℃(30 min),the comprehensive performance of reed-based building insulation materials was the best,when the studied material density was 321.3 kg/m^(3);the compressive strength was 0.59 MPa;the thermal conductivity was 0.101 W/(m·K);the pH was 11.27;the moisture absorption rate was 25.1%,and the compressive strength loss rate in wet-dry cycles was 18.5%.In addition,it had excellent fire resistance performance and weathering resistance *** new material can be widely used to improve the thermal insulation of traditional buildings and as sandwich filler in prefabricated buildings,such as preparing insulating walls.

关键词： pre-treatment of reeds interface adhesion properties building insulation material based reed fire resistance performance weathering resistance performance

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Optimizing battery deployment: Aging trajectory prediction enabling homogenous performance grouping

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Journal of Energy Chemistry 2025年第1期100卷 565-577页

作者： Shuquan Wang Feng Gao Zhan Ma Hao Tian Yusen Zhang School of Control Science and engineering Shandong UniversityJinan 250061ShandongChina Key Lab of power System Intelligent Dispatch and Control of Ministry of Education Shandong UniversityJinan 250061ShandongChina

As battery deployments in electric vehicles and energy storage systems grow, ensuring homogeneous performance across units is crucial. We propose a multi-derivative imaging fusion(MDIF) model, employing advanced imaging and machine learning to predict battery aging trajectories from minimal initial data, thus facilitating effective performance grouping before deployment. Utilizing a derivative strategy and Gramian Angular Difference Field for dimensional enhancement, the MDIF model uncovers subtle predictive features from discharge curve data after only ten cycles. The architecture includes a parallel convolutional neural network with lateral connections to enhance feature integration and *** on a self-developed dataset, the model achieves an average root-mean-square error of 0.047 Ah and an average mean absolute percentage error of 1.60%, demonstrating high precision and *** robustness is further validated through transfer learning on two publicly available datasets, adapting with minimal retraining. This approach significantly reduces the testing cycles required, lowering both time and costs associated with battery testing. By enabling precise battery behavior predictions with limited data, the MDIF model optimizes battery utilization and deployment strategies, enhancing system efficiency and sustainability.

关键词： Lithium-ion battery Battery prognostics Fusion model Convolutional neural network Transfer learning

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Electro-functionalized 2D nitrogen-carbon nanosheets decorated with symbiotic cobalt single-atoms/clusters

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Journal of Energy Chemistry 2025年第2期101卷 385-391页

作者： Xinyan Zhou Sifan Qiao Zhenzhen Zhao Meiqi Liu Kexin Song Fuxi Liu Nailin Yue Xiujuan Li Meng Zou Wei Zhang Key Laboratory of Automobile Materials MOE and School of Materials Science & Engineering and Electron Microscopy Center and International Center of Future Science and Jilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy Materials Jilin University Key Laboratory of Bionic engineering Ministry of Education Jilin University

Two-dimensional（2D） materials loaded with single atoms and clusters are being set at the forefront of catalysis due to their distinctive geometric and electronic ***,the usually-complicated synthesis procedures impede in-depth clarification of their catalytic *** this end,herein we developed an efficient one-step dimension-reduction carbonization strategy,with which we successfully architected a highly-efficient catalyst for oxygen reduction reaction（ORR）,featured with symbiotic cobalt single atoms and clusters decorated in two-dimensional（2D） ultra-thin（3.5 nm thickness）nitrogen-carbon *** synergistic effects of the two components afford excellent oxygen reduction activity in alkaline media(E1/2=0.823 V ***) and thereof a high power density(146.61 mW cm-2) in an assembled Zn-air *** revealed by theoretical calculations,the cobalt clusters can regulate electrons surrounding those individual atoms and affect the adsorption of intermediate *** a consequence,the derived active sites of single cobalt atoms lead to a significant improvement of the ORR ***,our work may fuel interests to delicate architectu re of single atoms and clusters coexisting 2D support toward optimal electrocatalytic performance.

关键词： Carbon-Nitrogen Nanosheets Oxygen reduction reaction Single atoms and clusters Two-dimensional

Real-road NO_(x)and CO_(2)emissions of city and highway China-6 heavy-duty diesel vehicles

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Journal of Environmental Sciences 2025年第3期149卷 330-341页

作者： Zihao Ge Wanyang Li Junfang Wang Yachao Wang Ying Huang Xin Wang Yunshan Ge School of Mechanical engineering Beijing Institute of TechnologyBeijing 100081China Weichai power Co.Ltd. Weifang 261061China Chinese Research Academy of Environmental Sciences Beijing 100012China

The emission of heavy-duty vehicles has raised great concerns *** complex working and loading conditions,which may differ a lot from PEMS tests,raised new challenges to the supervision and control of emissions,especially during real-world ***-board diagnostics(OBD)technology with data exchange enabled and strengthened the monitoring of emissions from a large number of heavy-duty diesel *** paper presents an analysis of the OBD data collected from more than 800 city and highway heavy-duty vehicles in China using remote OBD data ***-world NO_(x)and CO_(2)emissions of China-6 heavy-duty vehicles have been *** results showed that city heavy-duty vehicles had higher NO_(x)emission levels,which was mostly due to longer time of low SCR temperatures below 180°*** application of novel methods based on 3BMAWalso found that heavy-duty diesel vehicles tended to have high NO_(x)emissions at ***,little difference had been found in work-based CO_(2)emissions,and this may be due to no major difference were found in occupancies of hot running.

关键词： Remote monitor On-Board diagnostics NO_(x)emission CO_(2)emission Heavy-duty vehicles

Dual-functional additive of cesium ion for achieving ultrahigh efficiency of persistent phosphorescence in existing polymer-based materials

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Science China Chemistry 2025年第2期68卷 754-762页

作者： Yao Liu Jinzheng Chen Yiling Miao Kaimin Zhang Faxu Lin Huahua Huang Lina Zhang Zhan Yang Yi Zhang Zhenguo Chi Zhiyong Yang Key Laboratory for Polymeric Composite&Functional Materials of Ministry of Education Guangdong Engineering Technology Research Center for High-performance Organic and Polymer Photoelectric Functional FilmsGuangdong Basic Research Center of Excellence(GBRCE)for Functional Molecular EngineeringSchool of ChemistrySun Yat-sen UniversityGuangzhou 510275China School of Materials Science and engineering Sun Yat-sen UniversityGuangzhou 510275China College of Materials Science and engineering Hebei University of EngineeringHandan 056038China School of Environmental and Chemical engineering Wuyi UniversityJiangmen 529020China

Despite great achievements obtained for polymer-based room-temperature phosphorescence(RTP)materials,the limited efficiencies of persistent RTP still hinder their ***,a simple and universal strategy of using the dual-functional additive of Cs+was presented,which could simultaneously enhance the efficiency(Φp)and maintain the long lifetime(τp)of RTP in existing polymer-based systems with various phosphors and *** them,the commercial emitter(TpB)-doped polyvinyl alcohol(PVA)/Cs_(2)CO_(3) system possessed an extremely high Φp up to 75.5% and still maintained a longτp of 2.13 s,by introducing the heavy-atom effect and an extra network of ionic bonding through the Cs+***,the temperature resistance of RTP in TpB@PVA/Cs+film could also be improved to 85℃.More satisfactorily,the efficiency of Förster resonance energy transfer(FRET)from RTP to near-infrared(NIR)was also remarkably enhanced in the multi-component *** work provides a simple and universal strategy for developing polymer systems with high RTP performance.

关键词： persistent phosphorescence cesium carbonate efficiency heavy-atom effect ionic interaction

Improved oxygen electrocatalysis at Fe N4 and Co N4 sites via construction of axial coordination

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Chinese Chemical Letters 2025年第2期36卷 482-487页

作者： Ze Zhang Lei Yang Jin-Ru Liu Hao Hu Jian-Li Mi Chao Su Bei-Bei Xiao Zhi-Min Ao School of Energy and power engineering Jiangsu University of Science and Technology Institute for Computation in Molecular and Materials Science School of Chemistry and Chemical Engineering Nanjing University of Science and Technology Institute for Advanced Materials School of Materials Science and Engineering Jiangsu University Advanced Interdisciplinary Institute of Environment and Ecology Beijing Normal University

The quest for efficient and durable catalysts using abundant resources has garnered significant interest in the field of bifunctional oxygen *** this contribution,we have designed a FeN4or CoN4embedded graphene-based bilayer as active layer and TMC3or TMN3doped graphene as supporting layer,named as FeN4/TMC3or FeN4/TMN3and CoN4/TMC3or CoN4/TMN3,wherein TM strands for transition *** on density functional theory calculations,our results demonstrate that the interaction formed between dual metal atoms in the bilayer interspace leads to the coordination environment altered from flat four-coordination to spatial five-coordination,further stabilizing the bilayer structure and impairing its affinity toward the O-containing *** to thermodynamic analysis,the bilayers of CoN4/CoN3,FeN4/FeC3,FeN4/CoC3,FeN4/NiC3,FeN4/ZnC3,FeN4/FeN3,FeN4/CrN3and FeN4/ZnN3are attractively promising for bifunctional oxygen electrocatalysis due to the small overpotential differenceΔη between oxygen reduction and oxygen evolution that are less than 1 *** functional theory calculations combined with machine learning analysis directly identify the key role played by the interbinding formed between bilayers,that boosts catalytic activity,which establishes a predictable framework for a fast screen for graphene-based bilayer vertical *** work opens up a new path for designing the efficient electrocatalysts via modification of coordination environment.

关键词： Density functional theory Machine learning Oxygen electrocatalysis Thermodynamic analysis