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Revealing the Multifunctional Electrocatalysis of Indium-Modulated Phthalocyanine for High-Performance Lithium-Sulfur Batteries

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Energy & Environmental Materials 2024年第1期7卷 1-8页

作者： Yang Guo Zhaoqing Jin Jianhao Lu Zilong Wang Zihao Song Anbang Wang Weikun Wang Yaqin Huang Beijing Key Laboratory of Electrochemical Process and technology for Materials Key Laboratory of Biomedical Materials of Natural MacromoleculesMinistry of EducationBeijing University of Chemical TechnologyBeijing 100029China Research institute of chemical Defense Beijing Key Laboratory of Advanced Chemical Energy Storage Technology and MaterialsBeijing 100191China

The sluggish kinetics of complicated multiphase conversions and the severe shuttling effect of lithium polysulfides(LiPSs)significantly hinder the applications of Li-S battery,which is one of the most promising candidates for the next-generation energy storage ***,a bifunctional electrocatalyst,indium phthalocyanine self-assembled with carbon nanotubes(InPc@CNT)composite material,is proposed to promote the conversion kinetics of both reduction and oxidation processes,demonstrating a bidirectional catalytic effect on both nucleation and dissolution of Li_(2)S *** theoretical calculation shows that the unique electronic configuration of InPc@CNT is conducive to trapping soluble polysulfides in the reduction process,as well as the modulation of electron transfer dynamics also endows the dissolution of Li_(2)S in the oxidation reaction,which will accelerate the effectiveness of catalytic conversion and facilitate sulfur ***,the InPc@CNT modified separator displays lower overpotential for polysulfide transformation,alleviating polarization of electrode during *** integrated spectroscopy analysis,HRTEM,and electrochemical study reveal that the InPc@CNT acts as an efficient multifunctional catalytic center to satisfy the requirements of accelerating charging and discharging ***,the Li-S battery with InPc@CNT-modified separator obtains a discharge-specific capacity of 1415 mAh g^(-1)at a high rate of 0.5 ***,the 2 Ah Li-S pouch cells deliver 315 Wh kg^(-1)and achieved 80%capacity retention after 50 cycles at 0.1 C with a high sulfur loading of 10 mg cm^(-2).Our study provides a practical method to introduce bifunctional electrocatalysts for boosting the electrochemical properties of Li-S batteries.

关键词： bidirectional catalyst indium phthalocyanine lithium-sulfur batteries pouch cells

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A projected Newton algorithm based on chemically allowed interval for chemical equilibrium computations

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Frontiers of chemical Science and Engineering 2024年第3期18卷 25-37页

作者： Hongbin Lu Shaohui Tao Xiaoyan Sun Li Xia Shuguang Xiang institute of Process Systems Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao266042China

The chemical equilibrium equations utilized in reactive transport modeling are complex and nonlinear,and are typically solved using the Newton-Raphson *** this algorithm is known for its quadratic convergence near the solution,it is less effective far from the solution,especially for ill-conditioned *** such cases,the algorithm may fail to converge or require excessive *** address these limitations,a projected Newton method is introduced to incorporate the concept of *** method constrains the Newton step by utilizing a chemically allowed interval that generates feasible descending ***,we utilize the positive continuous fraction method as a preconditioning technique,providing reliable initial values for solving the *** numerical results are compared with those derived using the regular Newton-Raphson method,the Newton-Raphson method based on chemically allowed interval updating rules,and the bounded variable least squares method in six different test *** numerical results highlight the robustness and efficacy of the proposed algorithm.

关键词： chemical equilibrium reactive transport modeling numerical methods projected Newton method

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Hyperreflective photonic crystals created by shearing colloidal dispersions at ultrahigh volume fraction

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Microsystems & Nanoengineering 2024年第1期10卷 161-173页

作者： Minji Kim Jong Bin Kim Shin-Hyun Kim Department of chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology(KAIST)Daejeon 34141Republic of Korea

Colloidal crystallization serves as one of the most economic and scalable production methods for photonic ***,insufficient optical performance,nonuniformity and low reproducibility remain challenges for advanced high-value *** this study,we optimally formulate a photocurable dispersion of silica particles and apply shear flow to unify the orientation of the colloidal crystals,ensuring high optical performance and *** silica particles experience strong repulsion at ultrahigh volume fractions of 50%but demonstrate low mobility,leading to polycrystalline *** shear flow to the dispersions allows the silica particles to rearrange into larger crystalline domains with a unidirectional orientation along the *** shear-induced structural change produces absolute reflectivity at the stopband as high as 90%and a high transparency of 90%at off-resonant wavelengths with minimal diffusive ***,the strong interparticle repulsion ensures a uniform volume fraction of particles throughout the dispersion,reducing deviations in the optical *** intricately micropattern the photocurable dispersions using ***,the photonic films and patterns can be stacked to form multiple layers,displaying mixed structural colors and multiple reflectance peaks without sacrificing *** superior photonic materials hold promise for various optical applications,including optical components and anticounterfeiting patches.

关键词： properties. dispersion reflectivity

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Phase equilibrium data prediction and process optimizationin butadiene extraction process

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Chinese Journal of chemical Engineering 2024年第7期71卷 1-12页

作者： Baowei Niu Yanjie Yi Yuwen Wei Fuzhen Zhang Lili Wang Li Xia Xiaoyan Sun Shuguang Xiang institute of Process System Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China

In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by *** accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium *** results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing ***-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS *** predicted phase equilibrium data were checked for *** NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium *** device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction *** simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its *** average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and *** best phase equilibrium data and thermodynamic model parameters for butadiene extraction are *** improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.

关键词： Butadiene extraction Phase equilibrium data Prediction methods Thermodynamic modeling Process simulation

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Biomass-based production of trimellitic and trimesic acids

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Green Energy & Environment 2024年第8期9卷 1267-1278页

作者： Lin Yuan Yancheng Hu Guangyi Li Fengan Han Aiqin Wang Yu Cong Tao Zhang Feng Wang Ning Li CAS Key Laboratory of Science and technology on Applied Catalysis Dalian Institute of Chemical PhysicsChinese Academy of Sciences University of Chinese Academy of Sciences 19 A Yuquan RoadShijingshan District School of chemical Engineering and technology China University of Mining and Technology State Key Laboratory of Catalysis Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of Sciences

The production of industrial chemicals with renewable biomass feedstock holds potential to aid the world in pursuing a carbon-neutral *** and trimesic acids are important commodity chemicals in industry that are prepared by the oxidation of petroleum-derived *** reduce the dependence on the limited oil source,we develop a potential sustainable alternative towards trimellitic and trimesic acids using biomass-based 2-methyl-2,4-pentandiol （MPD）,acrylate and crotonaldehyde as starting *** process for trimellitic acid includes dehydration/D-A reaction of MPD and acrylate,flow aromatization over Pd/C catalyst,hydrolysis and catalytic aerobic oxidation （60%overall yield）.The challenging regioselectivity issue of D-A reaction is tackled by a matched combination of temperature and deep eutectic solvent ChCl/*** can also participate in the reaction,followed by Pd/C-catalyzed decarbonylation/dehydrogenation and oxidation to provide trimesic acid in 54%overall *** cycle assessment implies that compared to conventional fossil process,our biomass-based routes present a potential in reducing carbon emissions.

关键词： Biomass Trimellitic acid Trimesic acid Deep eutectic solvent Dehydration/D-A reaction

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Optimization of extreme ultraviolet vortex beam based on high harmonic generation

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Chinese Physics B 2024年第5期33卷 459-464页

作者：肖礴赵逸文程方晶王革文姜威王一琛胡杰梁红静马日 institute of Atomic and Molecular Physics Jilin UniversityChangchun 130012China College of Science Jilin Institute of Chemical TechnologyJilin 132022China

In high harmonic generation(HHG),Laguerre–Gaussian(LG) beams are used to generate extreme ultraviolet(XUV)vortices with well-defined orbital angular momentum(OAM),which have potential applications in fields such as microscopy and *** experimental study on the HHG driven by vortex and Gaussian beams is conducted in this *** is found that the intensity of vortex harmonics is positively correlated with the laser energy and gas *** structure and intensity distribution of the vortex harmonics exhibit significant dependence on the relative position between the gas jet and the laser *** ring-like structures observed in the vortex harmonics,and the interference of quantum paths provide an explanation for the distinct structural ***,by adjusting the relative position between the jet and laser focus,it is possible to discern the contributions from different quantum *** optimization of the HH vortex field is applicable to the XUV,which opens up a new way for exploiting the potential in optical spin or manipulating electrons by using the photon with tunable orbital angular momentum.

关键词： high harmonic generation phase matching extreme ultraviolet vortex beam quantum path interference

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Thickening progression mechanism of silica fume-oil well cement composite system at high temperatures

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Petroleum Science 2024年第4期21卷 2793-2805页

作者： Hang Zhang Miao-Miao Hu Peng-Peng Li Guo-Qing Liu Qing-Lu Chang Jie Cao Ming Liu Wen-Hua Xu Xiu-Jian Xia Jin-Tang Guo School of chemical Engineering and technology Tianjin University Zhejiang institute of Tianjin University Haihe Laboratory of Sustainable chemical Transformations CNPC Engineering technology R&D Company Limited

This work studied the thickening progression mechanism of the silica fume-oil well cement composite system at high temperatures(110-180.C) in order to provide a theoretical guidance for the rational application of silica fume in the cementing engineering. Results showed that silica fume seldom affected the thickening progression of oil well cement slurry at 110-120.C, but when temperature reached above130.C, it would aggravate the bulging degree of thickening curves and significantly extend the thickening time, meanwhile causing the abnormal “temperature-based thickening time reversal” and“dosage-based thickening time reversal” phenomena in the range of 130-160.C and 170-180.C respectively. At 130-160.C, the thickening time of oil well cement slurry was mainly associated with the generation rate of calcium hydroxide(CH) crystal. The introduced silica fume would be attracted to the cement minerals' surface that were hydrating to produce CH and agglomerate together to form an“adsorptive barrier” to hinder further hydration of the inner cement minerals. This “adsorptive barrier”effect strengthened with the rising temperature which extended the thickening time and caused the occurrence of the “temperature-based thickening time reversal” phenomenon. At 170-180.C, the pozzolanic activity of silica fume significantly enhanced and considerable amount of C-S-H was generated, thus the “temperature-based thickening time reversal” vanished and the “dosage-based thickening time reversal” was presented.

关键词： Silica fume Oil well cement Thickening time reversal Pozzolanic reaction Adsorptive barrier CH and C−S−H

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Stable, efficient inverted perovskite solar cells enabled by the multifunctional ytterbium oxide buffer

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Science China Chemistry 2024年第8期67卷 2423-2424页

作者： Manman Hu Sang Il Seok Department of Energy and chemical Engineering Ulsan National Institute of Science and TechnologyUlsan 44919Republic of Korea

Significant advancements in single-junction inverted perovskite solar cells (PSCs) have led to power conversion efficiencies (PCEs) exceeding 25% [1]. However, their operational stability under strict conditions falls short compared with commercial solar panels, primarily due to the ion migration. This migration alters the chemical composition within the perovskite layer, increasing the heterogeneity and forming degradation sites [2]. Additionally, ion accumulation at metal interfaces corrodes electrodes, while metal diffusion into perovskite layers further compromises the stability, highlighting critical areas for the improvement in long-term device performance [3,4].

关键词： perovskite exceeding stability

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Multifunctional applications of gadolinium-doped cerium oxide(Ce1-xGdxO2-?) ceramics:A review

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Journal of Rare Earths 2024年第10期42卷 1817-1834页

作者： Subhadip Das Rakesh Bhaskar Kannan Badri Narayanan Department of Ceramic Engineering National Institute of Technology Rourkela School of chemical Engineering Yeungnam University

Cerium oxide（CeO2）,or ceria,and its doped derivatives have been extensively studied for several decades and are well-known oxides valued for their unique structural properties and wide range of *** materials play a crucial role in sustainable development within *** modification through de fect e ngineering of the highly stable cubic fluorite phase enhances the versatility of this doped ceria to a new *** the numerous dopants of the CeO2matrix,ceria doped with gadolinium（Gd）,known as Ce1-xGdxO2-?（CGO）,is gaining popularity due to its *** introduction of defect-induced vacancies in the oxygen sublattice（V_o） and a change in the average valence of cerium(Ce3+/Ce4+) are primarily responsible for the improved performance compared to pristine *** materials are currently undergoing intensive research for potential use as electrolytes in intermediate-temperature solid oxide fuel cells（IT-SOFCs） and dense oxygen-permeable membranes（OPMs）.Additionally,they are being commercially utilized for power generation and oxygen *** materials are also attracting significant attention in various fields such as optics,photocatalysis,electrostriction,spintronics,gas sensing,electrocatalysis,and biomedical *** review paper aims to compile the latest contributions to CGO materials and comprehensively cover their various application *** crystal structure,defect equilibrium in Gd3+-doped CeO2,the origin of multifunctionality,and the prospects of these materials are also exclusively discussed.

关键词： Rare earths Photo/electrocatalysts Gas sensors Spintronics Biomedicine

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Wear-resistant CoCrNi multi-principal element alloy at cryogenic temperature

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Science Bulletin 2024年第2期69卷 227-236页

作者： Yue Ren Qing Zhou Dongpeng Hua Zhuobin Huang Yulong Li Qian Jia Peter Gumbsch Christian Greiner Haifeng Wang Weimin Liu State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal MaterialsNorthwestern Polytechnical UniversityXi’an 710072China institute for Applied Materials Karlsruhe Institute of TechnologyKarlsruhe 76131Germany IAM-ZM MicroTribology CenterμTC Karlsruhe Institute of TechnologyKarlsruhe 76131Germany fraunhofer IWM Freiburg 79108Germany State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China

Traditional high strength engineering alloys suffer from serious surface brittleness and inferior wear performance when servicing under sliding contact at cryogenic ***,we report that the recently emerging CoCrNi multi-principal element alloy defies this trend and presents dramatically enhanced wear resistance when temperature decreases from 273 to 153 K,surpassing those of cryogenic austenitic *** temperature-dependent structure characteristics and deformation mechanisms influencing the cryogenic wear resistance of CoCrNi are clarified through microscopic observation and atomistic *** is found that sliding-induced subsurface structures show distinct scenarios at different deformation *** cryogenic condition,significant grain refinement and a deep plastic zone give rise to an extended microstructural gradient below the surface,which can accommodate massive sliding deformation,in direct contrast to the strain localization and delamination at 273 ***,the temperature-dependent cryogenic deformation mechanisms(stacking fault networks and phase transformation)also provide additional strengthening and toughening of the subsurface *** features make the CoCrNi alloy particularly wear resistant at cryogenic conditions and an excellent candidate for safety–critical applications.

关键词： Multi-principal element alloy Cryogenic temperature Wear CoCrNi

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