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Low-Enthalpy and High-Entropy Polymer Electrolytes for li-Metal Battery

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Energy & Environmental Materials 2024年第1期7卷 91-99页

作者： Haitao Zhang Yuchen wang Junfeng Huang Wen li Xiankan Zeng Aili Jia Hongzhi Peng Xiong Zhang Weiqing yang Key Laboratory of Advanced Technologies of Materials Ministry of EducationSchool of Materials Science and EngineeringSouthwest Jiaotong UniversityChengdu 610031China Institute of Electrical Engineering Chinese Academy of SciencesBeijing 100190China

lonic-conductive solid-state polymer electrolytes are promising for the development of advanced lithium batteries yet a deeper understanding of their underlying ion-transfer mechanism is needed to improve *** we demonstrate the low-enthalpy and high-entropy(LEHE)electrolytes can intrinsically generate remarkably free ions and high mobility,enabling them to efficiently drive lithium-ion *** LEHE electrolytes are constructed on the basis of introducing CsPbl_(3)perovskite quantum dots(PQDs)to strengthen PEO@liTFSI *** extremely stable cycling>1000 h at 0.3 mA cm^(-2)can be delivered by LEHE ***,the as-developed li|LEHE|liFePO_(4)cell retains 92.3%of the initial capacity(160.7 mAh g^(-1))after 200 *** cycling stability is ascribed to the suppressed charge concentration gradient leading to free lithium *** is realized by a dramatic increment in lithium-ion transference number(0.57 vs 0.19)and a significant decline in ion-transfer activation energy(0.14 eV vs 0.22 eV)for LEHE electrolytes comparing with PEO@liTFSI *** CsPbl_(3)PQDs promote highly structural disorder by inhibiting crystallization and hence endow polymer electrolytes with low melting enthalpy and high structural entropy,which in turn facilitate long-term cycling stability and excellent rate-capability of lithium-metal batteries.

关键词： charge concentration gradient lithium dendrites lithium-metal battery low-enthalpy and high-entropy polymer electrolyte

Facet-dependent activation of oxalic acid over hematite nanocrystals under the irradiation of visible light for efficient degradation of pollutants

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Journal of Environmental Sciences 2024年第8期142卷 204-214页

作者： Zhixiong yang Yuan li Xiaotian wang Jiaming li Jiquan wang Gaoke Zhang Hubei Key Laboratory of Mineral Resources Processing and Environment State Key Laboratory of Silicate Materials for ArchitecturesWuhan University of TechnologyWuhan 430070China Hubei Engineering Consulting Co. Ltd.Wuhan 430071China

Naturally occurring hematite has been widely studied in the Fenton-like system for water pollutant remediation due to its abundance and ***,its inadequate catalytic activity results in difficulty in effectively degrading pollutants in the catalytic degradation system that it ***,we constructed a photochemical system composed of hematite with{001}facet of high activity facet and low-cost and non-toxic oxalic acid(OA)for the removal of various types of *** removal rate for the degradation of metronidazole,tetracycline hydrochloride,Rhodamine B,and hexavalent chromium by hematite nanoplate with the exposed{001}facet activating OA under visible light irradiation was 4.75,2.25,2.33,and 2.74 times than that by the exposed{110}facet,*** functional theory(DFT)calculation proved that the OA molecule was more easily adsorbed on the{001}facet of hematite than that on the{110}facet,which would favor the formation of the more Fe(Ⅲ)-OA complex and reactive *** addition,the reactive site of metronidazole for the attraction of radicals was identified on the basis of the DFT calculation on the molecular occupied orbitals,and the possible degradation pathway for metronidazole included carbon chain fracture,hydroxyethyl-cleavage,denitrogenation,and ***,this finding may offer a valuable direction in designing an efficient iron-based catalyst based on facet engineering for the improved activity of Fenton-like systems such as OA activation.

关键词： Hematite Facet exposure Oxalic acid activation Fenton-like system Pollutant removal

Cerium oxide inclusion nucleation mechanism based on classical nucleation theory and two-step nucleation

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Journal of Rare Earths 2024年第4期42卷 793-802页

作者： Yutang li Jun wang linzhu wang Chaoyi Chen Shufeng yang Junqi li Xiang li School of Materials and Metallurgy Guizhou UniversityGuiyang550025China State Key Laboratory of Public Big Data Guizhou UniversityGuiyang550025China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing100083China Department of Materials&Metallurgy Engineering Guizhou Institute of TechnologyGuiyang550003China

It is challenging to assess the mechanism responsible for the nucleation of inclusions in metals at high *** present work therefore systematically investigates the nucleation of cerium oxide inclusions according to classical nucleation theory and a two-step nucleation *** nucleation rates and nucleation radii of these inclusions are obtained,and the results demonstrate a considerable difference between theoretical and experimental *** the basis of a two-step nucleation mechanism,(CeO_(2))_(n) and(Ce_(2)O_(3))_(n)(n=1-6)clusters were constructed and the thermodynamic properties of both these clusters and of cerium oxide nanoparticles were *** addition,the entropies and heat capacity changes of cerium oxides were determined using first principles calculations and are found to be consistent with literature *** present data indicate that the cerium oxide inclusion nucleation pathway can be summarized as[Ce]+[O]→(CeO_(2))n/(Ce_(2)O_(3))_(n)→(Ce_(2)O_(3))_(n)→(Ce_(2)O_(3))_(2)→core(Ce_(2)O_(3)crystal)-shell((Ce_(2)O_(3))_(2) cluster)nanoparticles→(Ce_(2)O_(3))bulk.

关键词： Cerium oxide inclusion Classical nucleation theory Two-step nucleation mechanism First principles Rare earths

A Correlation-Based Stochastic Model for Massive MIMO Channel

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China Communications 2024年第1期21卷 175-187页

作者： yang liu Gang li Chengxiang wang National Mobile Communications Research Laboratory School of Information Science and EngineeringSoutheast UniversityNanjing 211189China School of Internet of Things Engineering Jiangnan UniversityWuxi 214122China Pervasive Communication Research Center Purple Mountain LaboratoriesNanjing 211111China

In this paper,the channel impulse response matrix(CIRM)can be expressed as a sum of couplings between the steering vectors at the base station(BS)and the eigenbases at the mobile station(MS).Nakagami distribution was used to describe the fading of the coupling between the steering vectors and the *** measurements were carried out to evaluate the performance of this proposed ***,the physical implications of this model were illustrated and the capacities are *** addition,the azimuthal power spectrum(APS)of several models was ***,the channel hardening effect was simulated and *** showed that the proposed model provides a better fit to the measured results than the other CBSM,i.e.,Weichselberger ***,the proposed model can provide better tradeoff between accuracy and complexity in channel *** CIRM model can be used for massive MIMO design in the future communication system design.

关键词： CBSM channel capacity channel hardening channel modeling massive MIMO

Influence of water coupling coefficient on the blasting effect of red sandstone specimens

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International Journal of Coal Science & Technology 2024年第1期11卷 148-166页

作者： yang li Renshu yang Yanbing wang Dairui Fu School of Mechanics and Civil Engineering China University of Mining and Technology(Beijing)Beijing100083China School of Civil and Resource Engineering University of Science and Technology BeijingBeijing100083China

This study investigates the impact of different water coupling coefficients on the blasting effect of red *** analysis is based on the theories of detonation wave and elastic wave,focusing on the variation in wall pressure of the blasting *** DDNP explosive as the explosive load,blasting tests were conducted on red sandstone specimens with four different water coupling coefficients:1.20,1.33,1.50,and *** study examines the morphologies of the rock specimens after blasting under these different water coupling ***,the fractal dimensions of the surface cracks resulting from the blasting were calculated to provide a quantitative evaluation of the extent of rock *** scanning and 3D reconstruction were performed on the post-blasting specimens to visually depict the extent of damage and fractures within the ***,the volume fractal dimension and damage degree of the post-blasting specimens are *** findings are then combined with numerical simulation to facilitate auxiliary *** results demonstrate that an increase in the water coupling coefficient leads to a reduction in the peak pressure on the hole wall and the crushing zone,enabling more of the explosion energy to be utilized for crack propagation following the *** specimens exhibited distinct failure patterns,resulting in corresponding changes in fractal *** simulated pore wall pressure–time curve validated the derived theoretical results,whereas the stress cloud map and explosion energy-time curve demonstrated the buffering effect of the water *** the water coupling coefficient increases,the buffering effect of the water medium becomes increasingly prominent.

关键词： Water coupling coefficient Radial uncoupled charge Numerical simulation Fractal dimension

Interface diffusion of sputtered CoZrNb films on silicon substrate

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Rare Metals 2006年第Z2期25卷 36-40页

作者： li Xiaowei wang Leyun yang Jing ZENG Fei PAN Feng Laboratory of Advanced Materials Department of Materials Science and EngineeringTsinghua UniversityBeijing 100084China

The amorphous CoZrNb films were deposited by DC magnetron *** depth distributions of the elements were analyzed by Rutherford backscattering spectrometry(RBS).The results indicate that when the deposition time is longer than 37 min,the film composition keeps constant along the *** the deposition time is longer than 45 min,the Co concentration at the interface of the silicon substrate is higher than the average value in the whole *** the deposition time is longer than 52 min,the Co atoms diffuse into the substrate during the *** to the Co composition profile in the substrate,which were determined from the RBS spectra,the Co diffusion coefficients in the substrate were calculated using the solution of Fick′s second law corresponding to an infinite source with a constant diffusion *** calculated diffusion coefficients indicate an interstitial assisted diffusion mechanism.

关键词： CoZrNb films interface diffusion RBS

Electron-electron interactions in monolayer graphene quantum capacitors

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Nano Research 2013年第8期6卷 619-626页

作者： Xiaolong Chen lin wang Wei li yang wang Zefei Wu Mingwei Zhang Yu Han Yuheng He Ning wang Department of Physics and the William Mong Institute of Nano Science and Technology Hong Kong University of Science andTechnology Hong Kong S.A.R. China

We demonstrate the effects of electron-electron （e-e） interactions in monolayer graphene quantum capacitors. Ultrathin yttrium oxide showed excellent per-formance as the dielectric layer in top-gate device geometry. The structure and dielectric constant of the yttrium oxide layers have been carefully studied. The inverse compressibility retrieved from the quantum capacitance agreed fairly well with the theoretical predictions for the e--e interactions in monolayer graphene at different temperatures. We found that electron-hole puddles played a significant role in the low-density carrier region in graphene. By considering the temperature-dependent charge fluctuation, we established a model to explain the round-off effect originating from the e-e interactions in monolayer graphene near the Dirac point.

关键词： graphene e-e interaction inverse compressibility quantum capacitance charge fluctuation electron-hole puddles

Application of multi-algorithm ensemble methods in high-dimensional and small-sample data of geotechnical engineering:A case study of swelling pressure of expansive soils

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第5期16卷 1896-1917页

作者： Chao li Lei wang Jie li yang Chen School of Urban Railway Transportation Shanghai University of Engineering ScienceShanghai201620China Discipline of Civil and Infrastructure Engineering RMIT UniversityMelbourne3001Australia School of Naval Architecture and Civil Engineering Shanghai Jiao Tong UniversityShanghai200240China

Geotechnical engineering data are usually small-sample and high-dimensional,which brings a lot of challenges in predictive *** paper uses a typical high-dimensional and small-sample swell pressure(P_(s))dataset to explore the possibility of using multi-algorithm hybrid ensemble and dimensionality reduction methods to mitigate the uncertainty of soil parameter *** on six machine learning(ML)algorithms,the base learner pool is constructed,and four ensemble methods,Stacking(SG),Blending(BG),Voting regression(VR),and Feature weight linear stacking(FWL),are used for the multi-algorithm ***,the importance of permutation is used for feature dimensionality reduction to mitigate the impact of weakly correlated variables on predictive *** results show that the proposed methods are superior to traditional prediction models and base ML models,where FWL is more suitable for modeling with small-sample datasets,and dimensionality reduction can simplify the data structure and reduce the adverse impact of the small-sample effect,which points the way to feature selection for predictive *** on the ensemble methods,the feature importance of the five primary factors affecting P_(s) is the maximum dry density(31.145%),clay fraction(15.876%),swell percent(15.289%),plasticity index(14%),and optimum moisture content(13.69%),the influence of input parameters on P_(s) is also investigated,in line with the findings of the existing literature.

关键词： Expansive soils Swelling pressure Machine learning(ML) Multi-algorithm ensemble Sensitivity analysis

Modeling analysis of cobalt-based Fischer-Tropsch catalyst particles

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Chinese Journal of Chemical Engineering 2024年第6期70卷 82-92页

作者： Huashuai Wu Gang wang Yong yang Yongwang li College of Chemical Engineering and Technology Taiyuan University of TechnologyTaiyuan 030024China National Energy Research&Development Center for Coal to liquid Fuels Synfuels China CompanyLimitedBeijing 101400China

The influences of particle size,shape,and catalyst distribution on the reactivity and hydrocarbon product selectivity of a cobalt-based catalyst for Fischer-Tropsch synthesis were investigated in the present work.A self-consistent kinetic model for Fischer-Tropsch reaction proposed here was found to correlate experimental data well and hence was used to describe the consumption rates of reactants and formation rates of hydrocarbon *** perturbed-chain statistical associating fluid theory equation of state was used to describe vapor-liquid equilibrium behavior associated with Fischer-Tropsch *** interaction between intraparticle diffusion and Fischer-Tropsch reaction was investigated in *** showed that in order to avoid the adverse influence of intraparticle diffusional limitations on catalyst reactivity and product selectivity,the use of small particles is *** eggshell spherical particles are shown to keep the original catalyst reactivity and enhance the selectivity of heavy hydrocarbon *** suitable layer thickness for a spherical particle with a diameter of 2 mm is nearly 0.15 *** the same outer diameter of 2 mm,the catalyst reactivity and heavy product selectivity of hollow cylindrical particles with a layer thickness of 0.25 mm are found to be larger than eggshell spherical *** the viewpoint of catalytic performance,hollow cylindrical particles are a better choice for industrial applications.

关键词： Fischer-Tropsch synthesis Kinetic modeling Vapor-liquid equilibria Numerical simulation Intraparticle diffusion Particle shapes