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Vinyltrimethylsilane as a novel electrolyte additive for improving interfacial stability of li-rich cathode working in high voltage

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Chinese Chemical Letters 2024年第2期35卷 534-538页

作者： bing Jiang Hao li Bi Luo Lehao liu lihua Chu Qiaobao Zhang Meicheng li State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources School of New EnergyNorth China Electric Power UniversityBeijing 102206China State Key Laboratory of Physical Chemistry of Solid Surfaces College of MaterialsXiamen UniversityXiamen 361005China

Boosting the interfacial stability between electrolyte and li-rich cathode material at high operating voltage is vital important to enhance the cycling stability of li-rich cathode materials for high-performance li-ion *** this work,vinyltrimethylsilane as a new type of organic silicon electrolyte additive is studied to address the interfacial instability of li-rich cathode material at high operating *** cells using vinyltrimethylsilane additive shows the high capacity retention of 73.9%after 300 cycles at 1 C,whereas the cells without this kind of additive only have the capacity retention of 58.9%.The improvement of stability is mainly attributed to the additive helping to form a more stable surface film for li-rich cathode material,thus avoiding direct contact between the electrolyte and the cathode material,slowing down the dissolution of metal ions and the decomposition of the electrolyte under high operating *** findings in this work shed some light on the design of stable cycling performance of li-rich cathode toward advanced li-ion batteries.

关键词： Vinyltrimethylsilane Electrolyte additive li-rich cathode Interfacial stability Capacity retention

Three positive charge nonapoptotic-induced photosensitizer with excellent water solubility for tumor therapy

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Chinese Chemical Letters 2024年第8期35卷 205-210页

作者： Zhe li Ping-Zhao liang li Xu Fei-Yu Yang Tian-bing Ren lin Yuan Xia Yin Xiao-bing Zhang State Key Laboratory of Chemo/Biosensing and Chemometrics College of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China

Photodynamic therapy(PDT)has emerged as a significant cancer therapy ***,cation-based organic small molecule aggregation-induced emission(AIE)photosensitizers(PSs)attract the wide atten-tion of many scientists,due to improved reactive oxygen species(ROS)production after ***,such PSs tend to localize only the mitochondria,limiting the death way of tumor cells(usu-ally apoptosis)during PDT process,which may affect the therapeutic effect under some ***,we designed a novel water-soluble three positive charge PS,TPAN-18F,which could be distributed uniformly in cell cytoplasm and had distribution in different sub-organelles(mitochondria,endoplasmic reticulum,lysosome).The experimental results showed that TPAN-18F-based PDT process can not only disrupt mitochondrial functions(reducing ATP production and destroying mitochondrial membrane po-tential),but also elevate the intracellular lipid peroxides(LPOs)level,which evoke the non-apoptotic death manner of tumor ***,in vivo studies showed that TPAN-18F-based PDT could effectively inhibit tumor ***,we believe that the construction of TPAN-18F is suggestive for tumor non-apoptotic therapy.

关键词： Water-soluble Three positive charge Photosensitizer Nonapoptotic Tumor therapy

Process intensification for the synthesis and purification of battery-grade li_(2)CO_(3)with microfluidics

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Particuology 2024年第7期90卷 106-117页

作者： Haodu li Jie Zhang lin Dai Le Du Jiqin Zhu The State Key Laboratory of Chemical Resource Engineering College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China

Battery-grade lithium carbonate(li_(2)CO_(3))with a purity of higher than 99.5 wt%is of great importance as a high value-added lithium ***,influences of different reaction systems and process control on product purity remain ***,a membrane dispersion microreactor was used to enhance the mass transfer of preparation and purification processes in homogeneous and heterogeneous *** systems of Na_(2)CO_(3)–liCl,NH_(4)HCO_(3)–liCl,and NH_(3)·H_(2)O−CO_(2)−liCl,CO_(2)purification based on carbonation and decomposition were *** li_(2)CO_(3)purity was increased by the improvement of mixing *** carbonation time was reduced by 62.5%and 58.3%for the NH_(3)·H_(2)O−CO_(2)and CO_(2)purification systems,*** the two ammonia-based systems,li_(2)CO_(3)particles with a purity of 99.7–99.8 wt%were one-step prepared with a size of 3–5μm,which also met the requirement of the battery-grade *** purity was further increased to 99.9 wt%by CO_(2)purification and liHCO_(3)*** investigation could provide a feasible alternative for the controllable preparation of battery-grade li_(2)CO_(3)in one or multiple steps.

关键词： Microfluidics Battery grade li_(2)CO_(3) Process intensification High purity

Ultrahigh strength and uniform corrosion in Zn-li alloys through ultrahigh pressure supersaturated solid solution treatment for biodegradable orthopedic applications

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Rare Metals 2024年第10期43卷 5284-5304页

作者： Wan-Ying li Yi-Long Dai Wen-Hao Cai Si-Han lin lin Guo De-Chuang Zhang Yuncang li Cuie Wen School of Materials Science and Engineering Xiangtan University Department of Prosthodontics Shanghai Ninth People′s HospitalShanghai Jiao Tong University Key Laboratory of Low Dimensional Materials&Application Technology Ministry of EducationXiangtan University School of Engineering RMIT UniversityMelbourne

Zn-li alloys are considered promising candidate materials for biodegradable orthopedic implant applications due to their high mechanical performance and good ***,the presence of a large number of second-phase particles in this class of Zn alloys can lead to severe localized degradation due to micro-galvanic corrosion,which is detrimental to the mechanical integrity of the alloys during tissue healing in the human *** this study we report ultrahigh strength,uniform corrosion,good cytocompatibility,and effective antibacterial ability in Zn-x li（x=0.3,0.5,0.7;wt%） alloys achieved through supersaturated solid solution treatment （SSST） at 375℃ under ultrahigh pressure of 3 GPa.A high concentration of β-liZn4phases coexisted with the-Zn matrix in the as-cast Zn-x li alloys,whereas almost all the li dissolved into the-Zn matrix of SSST *** yield strength was 437 MPa for SSST Zn-0.3li,592 MPa for SSST Zn-0.5 li and 686 MPa for SSST *** SSST Zn-li alloys showed uniform degradation with remarkably reduced degradation rates compared to their as-cast *** 25% concentration extracts of the Zn-x li alloys demonstrated no cytotoxicity toward MC3T3-E1 cells,and the alloys exhibited effective antibacterial ability agains methicillin-resistant staphylococcus aureus.

关键词： Corrosion behavior Mechanical property Supersaturated solid solution treatment (SSST) Ultrahigh pressure Zn-li alloy

First-principles study on the diffusion behavior of Cs and I in Cr coating

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Nuclear Science and Techniques 2024年第6期35卷 177-188页

作者： Shu-Ying lin Xiao-Jing li lin-bing Jiang Xi-Jun Wu Hui-Qin Yin Yu Ma Wen-Guan liu Sino-French Institute of Nuclear Engineering and Technology Sun Yat-Sen UniversityZhuhai 519082China School of Nuclear Science and Technology University of South ChinaHengyang 421001China

Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical *** coating has emerged as an important candidate for mitigating this chemical *** this study,first-principles calculations were employed to investigate the diffusion behavior of Cs and I in the Cr bulk and grain boundaries to reveal the microscopic interaction mitigation mechanisms at the fuel-cladding *** interaction between these two fission products and the Cr coating were studied systematically,and the Cs and I temperature-dependent diffusion coefficients in Cr were obtained using Bocquet’s oversized solute-atom model and Le Claire’s nine-frequency model,*** results showed that the Cs and I migration barriers were significantly lower than that of Cr,and the Cs and I diffusion coefficients were more than three orders of magnitude larger than the Cr self-diffusion coefficient within the temperature range of Generation-IV fast reactors(below 1000 K),demonstrating the strong penetration ability of Cs and ***,Cs and I are more likely to diffuse along the grain boundary because of the generally low migration barriers,indicating that the grain boundary serves as a fast diffusion channel for Cs and I.

关键词： First-principles calculation Fuel cladding chemical interaction Cr coating Fission product Diffusion Grain boundary

Numerical investigation on ball-sealers transport and diversion performance in shale gas horizontal well based on semi-resolved CFD-DEM

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Particuology 2024年第10期93卷 137-153页

作者： Yinjian Huang Jinzhou Zhao Lan Ren Ran lin Jianfa Wu Cheng Shen Jianjun Wu bing li National Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Southwest Petroleum UniversityChengdu610500China Tianfu Yongxing Laboratory Chengdu610213China Shale Gas Research Institute PetroChina Southwest Oil&Gasfield CompanyChengdu610056China PetroChina Coalbed Methane Company limited Xi’an710082China

In the staged multi-cluster fracturing of shale gas horizontal wells, ball sealers are used to ensure uniform fluid distribution among clusters, a strategy that is both cost-effective and operationally beneficial. Despite these advantages, comprehending the ball sealers' dynamics within the wellbore and their plugging behavior at perforations is still challenging. This complexity results in prediction difficulties regarding their diversion efficiency. To address this, our study utilized a semi-resolved CFD-DEM model based on kernel approximation to simulate the behavior of medium-sized ball sealers in single and multiple cluster scenarios. Our findings from a single cluster scenario reveal that the plugging probability is co-determined by velocity gradients in the fluid ingestion area near the perforation, backflow region, and inertial forces of the ball sealers. As the critical flow rate is achieved, the plugging probability negatively correlated with fluid viscosity and displacement, and positively correlated with the perforation flow ratio (PFR), the difference in particle-fluid density, ball sealer’s diameter, and the ball sealer’s offset from the pipeline center. Temporary plugging control efficiency was used to evaluate the flow balance effect among multiple clusters. The results indicate that an increased number of ball sealers enhances the fault tolerance during the temporary plugging process. Nevertheless, excessive ball sealers might undermine the temporary plugging control efficiency, as perforations with lower fluid inflow rates are unexpectedly plugging. Higher differences in fluid injection rates between clusters led to increased efficiency in temporary plugging control. Premature deployment of ball sealers cannot effectively plug perforations with marginally higher fluid inflow rates, but instead accidently plug intermediate clusters with lower fluid inflow rates. These findings offer a theoretical basis for optimizing the design of ball sealers.

关键词： Gas shale Horizontal wells Ball sealer Semi-resolved CFD-DEM Diversion

Prediction of contact resistance of electrical contact wear using different machine learning algorithms

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Friction 2024年第6期12卷 1250-1271页

作者： Zhen-bing CAI Chun-lin li Lei YOU Xu-dong CHEN li-ping HE Zhong-qing CAO Zhi-nan ZHANG Tribology Research Institute Southwest Jiaotong UniversityChengdu 610031China State Key Laboratory of Mechanical System and Vibration Shanghai Jiao Tong UniversityShanghai 200240China

H62 brass material is one of the important materials in the process of electrical energy transmission and signal transmission,and has excellent performance in all *** the wear behavior of electrical contact pairs is particularly complex when they are in service,we evaluated the effects of load,sliding velocity,displacement amplitude,current intensity,and surface roughness on the changes in contact *** learning(ML)algorithms were used to predict the electrical contact performance of different factors after wear to determine the correlation between different factors and contact *** forest(RF),support vector regression(SVR)and BP neural network(BPNN)algorithms were used to establish RF,SVR and BPNN models,respectively,and the experimental data were trained and *** was proved that BP neural network model could better predict the stable mean resistance of H62 brass alloy after *** analysis shows that the load and current have great influence on the predicted electrical contact *** wear behavior of electrical contacts is influenced by factors such as load,sliding speed,displacement amplitude,current intensity,and surface roughness during *** learning algorithms can predict the electrical contact performance after wear caused by these *** results indicate that an increase in load,current,and surface roughness leads to a decrease in stable mean resistance,while an increase in displacement amplitude and frequency results in an increase in stable mean resistance,leading to a decline in electrical contact *** reduce testing time and costs and quickly obtain the electrical contact performance of H62 brass alloy after wear caused by different factors,three algorithms(random forest(RF),support vector regression(SVR),and BP neural network(BPNN))were used to train and test experimental results,resulting in a machine learning model suitable for predicting the stable mean

关键词： electrical contact wear contact resistance machine learning(ML) neural network

Accelerating lithium-sulfur battery reaction kinetics and inducing 3D deposition of li_(2)S using interactions between Fe_(3)Se_(4)and lithium polysulfides

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Journal of Energy Chemistry 2024年第8期95卷 540-553,I0012页

作者： Yihan lin liheng li Longjie Tan Yongliang li Xiangzhong Ren Peixin Zhang Chuanxin He lingna Sun College of Chemistry and Environmental Engineering Shenzhen UniversityShenzhen 518060GuangdongChina

Although lithium-sulfur batteries(LSBs)exhibit high theoretical energy density,their practical application is hindered by poor conductivity of the sulfur cathode,the shuttle effect,and the irreversible deposition of li_(2)*** address these issues,a novel composite,using electrospinning technology,consisting of Fe_(3)Se_(4)and porous nitrogen-doped carbon nanofibers was designed for the interlayer of *** porous carbon nanofiber structure facilitates the transport of ions and electrons,while the Fe_(3)Se_(4)material adsorbs lithium polysulfides(liPSs)and accelerates its catalytic conversion ***,the Fe_(3)Se_(4)material interacts with soluble liPSs to generate a new polysulfide intermediate,li_(x)FeS_(y)complex,which changes the electrochemical reaction pathway and facilitates the three-dimensional deposition of li_(2)S,enhancing the reversibility of *** designed LSB demonstrates a high specific capacity of1529.6 mA h g^(-1)in the first cycle at 0.2 *** rate performance is also excellent,maintaining an ultra-high specific capacity of 779.7 mA h g^(-1)at a high rate of 8 *** investigation explores the mechanism of the interaction between the interlayer and liPSs,and provides a new strategy to regulate the reaction kinetics and li_(2)S deposition in LSBs.

关键词： lithium-sulfur batteries Polysulfide intermediates li_(2)S electrodeposition Interlayers Electrostatic spinning Adsorption Catalysis

Enhancing photoresponsiveness of metal-organic polyhedra by modifying microenvironment

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Nano Research 2024年第6期17卷 5712-5717页

作者： Long Zheng Peng Tan Qian Song Sheng-Tao Wang Min li Xiao-Qin liu lin-bing Sun State Key Laboratory of Materials-Oriented Chemical Engineering Jiangsu National Synergetic Innovation Center for Advanced Materials(SICAM)College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China

Photoresponsiveness of materials is critical to their tunability and efficiency in terminal *** metal-organic polyhedra(PMOPs)feature intrinsic pores and remote controllability,but aggregation of PMOPs in solid state hampers their photoresponsiveness ***,we report the construction of a new PMOP(Cu_(24)(C_(16)H_(12)N_(2)O_(4))_(12)(C_(18)H_(22)O_(5))12,denoted as MOP-PR-LA),where long alkyl(LA)chains act as the intermolecular poles,propping against adjacent PMOP molecules to create individual microenvironment benefiting the isomerization of photoresponsive(PR)*** ultraviolet(UV)-and visible-light irradiation,MOP-PR-LA is much easier to isomerize than the counterpart MOP-PR without *** propylene adsorption,MOP-PR has a low change of adsorption capacity(9.9%),while that of MOP-PR-LA reaches 58.6%.Density functional theory calculations revealed that PR in the cis state has a negative effect on adsorption,while the trans state of PR favors *** work might open an avenue for the construction of photoresponsive materials with high responsiveness and controllability.

关键词： photoresponsive adsorption metal-organic polyhedra azobenzene long alkyl chains propylene capture