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Achieving structurally stable O3-type layered oxide cathodes through site-specific cation-anion co-substitution for sodium-ion batteries

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Journal of Energy Chemistry 2024年第6期93卷 411-418,I0011页

作者： yihao Shen Chen Cheng xiao xia Lei Wang Xi Zhou Pan Zeng Jianrong Zeng Liang Zhang Institute of Functional Nano&Soft Materials(FUNSOM) Soochow UniversitySuzhou 215123JiangsuChina Institute for Advanced Study School of Mechanical EngineeringChengdu UniversityChengdu 610106SichuanChina Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhou 215123JiangsuChina

O3-type layered oxides have garnered great attention as cathode materials for sodium-ion batteries because of their abundant reserves and high theoretical ***,challenges persist in the form of uncontrollable phase transitions and intricate Na^(+)diffusion pathways during cycling,resulting in compromised structural stability and reduced capacity over *** study introduces a special approach employing site-specific Ca/F co-substitution within the layered structure of O_(3)-NaNi_(0.5)Mn_(0.5)O_(2) to effectively address these ***,the strategically site-specific doping of Ca into Na sites and F into O sites not only expands the Na^(+)diffusion pathways but also orchestrates a mild phase transition by suppressing the Na^(+)/vacancy ordering and providing strong metal-oxygen bonding strength,*** as-synthesized Na_(0.95)Ca_(0.05)Ni_(0.5)Mn_(0.5)O_(1.95)F_(0.05)(NNMO-CaF)exhibits a mild O3→O3+O'3→P3 phase transition with minimized interlayer distance variation,leading to enhanced structural integrity and stability over extended *** a result,NNMO-CaF delivers a high specific capacity of 119.5 mA h g^(-1)at a current density of 120 mA g^(-1)with a capacity retention of 87.1%after 100 *** study presents a promising strategy to mitigate the challenges posed by multiple phase transitions and augment Na^(+)diffusion kinetics,thus paving the way for high-performance layered cathode materials in sodium-ion batteries.

关键词： Sodium-ion batteries O3-type layered oxides Site-specific co-doping Phase transition

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Surface characterization of ICF capsule by AFM-based profilometer

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High Power Laser Science and Engineering 2017年第3期5卷 55-61页

作者： Jie Meng Xuesen Zhao Xing Tang yihao xia xiaojun Ma Dangzhong Gao Research Center of Laser Fusion CAEP Harbin Institute of Technology

Outside surface fluctuations of inertial confinement fusion(ICF) capsule greatly affect the implosion performance. An atomic force microscope(AFM)-based profilometer is developed to precisely characterize the capsule surface with nanometer resolution. With the standard nine surface profiles and the complete coverage data, 1D and 2D power spectra are obtained to quantitatively qualify the capsule. Capsule center fast aligning, orbit traces automatic recording, 3D capsule orientation have been studied to improve the accuracy and efficiency of the profilometer.

关键词： inertial confinement fusion target design and fabrication

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Formic Acid Dehydrogenation for Hydrogen Production Promoted by Grubbs and Hoveyda-Grubbs Catalysts

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Chinese Journal of Chemistry 2021年第8期39卷 2201-2206页

作者： Qian Wang yihao xia Fanrui Cheng Zhijian Chen Yifan Wang xiaofei Zhu Lei Qin Zhiping Zheng School of Chemistry and Chemical Engineering Harbin Institute of TechnologyHarbinHeilongjiang 150001China Department of Chemistry Southern University of Science and TechnologyShenzhenGuangdong 518055China School of Chemistry and Life Science Changchun University of TechnologyChangchunJilin 130012China Shenzhen Grubbs Institute and Guangdong Provincial Key Laboratory of Catalysis Southern University of Science and TechnologyShenzhenGuangdong 518055China

In this work,we screened three Grubbs catalysts and two Hoveyda-Grubbs catalysts for the production of H_(2) by dehydrogenation of formic acid(FA).The best results were achieved with the use of a first-generation Hoveyda-Grubbs *** a catalyst loading of mere 0.5μmol, a maximum TON of 36356 was obtained within 3 *** key intermediates were identified by using 1H NMR and high-resolution electrospray ionization mass spectroscopy(HRESI-MS),based on which a mechanism possibly responsible for the observed catalysis was proposed.

关键词： Hydrogen Formic acid Grubbs and Hoveyda-Grubbs catalysts Ruthenium Dehydrogenation

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Analytical Solutions for an Isotropic Elastic Half-Plane with Complete Surface Effects Subjected to a Concentrated/Uniform Surface Load

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Acta Mechanica Solida Sinica 2024年第3期37卷 371-384页

作者： xia-Hui Pan School of Civil Engineering Henan Polytechnic UniversityJiaozuo454003China

Within the context of Gurtin-Murdoch surface elasticity theory,closed-form analytical solutions are derived for an isotropic elastic half-plane subjected to a concentrated/uniform surface *** the effects of residual surface stress and surface elasticity are *** stress function method and Fourier integral transform technique are *** solutions are provided in a compact manner that can easily reduce to special situations that take into account either one surface effect or none at *** results indicate that surface effects generally lower the stress levels and smooth the deformation profiles in the *** elasticity plays a dominant role in the in-plane elastic fields for a tangentially loaded half-plane,while the effect of residual surface stress is fundamentally crucial for the out-of-plane stress and displacement when the half-plane is normally *** the remaining situations,combined effects of surface elasticity and residual surface stress should be *** results for a concentrated surface force serve essentially as fundamental solutions of the Flamant and the half-plane Cerruti problems with surface *** solutions presented in this work may be helpful for understanding the contact behaviors between solids at the nanoscale.

关键词： Surface effects Residual surface stress Surface elasticity Half-plane Analytical solutions

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Computational modelling of gas–liquid–solid multiphase free surface flow with and without evaporation

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Particuology 2024年第7期90卷 218-235页

作者： Huihuang xia Marc Kamlah Institute for Applied Materials(IAM) Karlsruhe Institute of Technology(KIT)Hermann-von Helmholtz-Platz 176344 Eggenstein-LeopoldshafenGermany

Gas–liquid–solid multiphase systems are ubiquitous in engineering applications,*** printing,spray drying and *** a numerical framework for modelling these multiphase systems is of great *** improved,resolved computational fluid dynamics-discrete element method(CFD-DEM)framework is developed to model the multiphase free surface flow with and without *** improved capillary force model is developed to compute the capillary interactions for partially floating particles at a free *** well-known benchmark cases,namely drag coefficient calculation,the single sphere settling,and drafting-kissing-tumbling of two particles are conducted to validate the resolved CFD-DEM *** turns out that the resolved CFD-DEM model developed in this paper can accurately calculate the fluid–solid interactions and predict the trajectory of solid particles interacting with the liquid *** demonstrations,namely two particles moving along a free surface when the liquid phase evaporates,and particle transport and accumulations inside an evaporating sessile droplet show the performance of the resolved model.

关键词： Capillary force Discrete element method Liquid bridge Particle transport Resolved CFD-DEM Volume of fluid

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Theoretical and experimental investigations on single-atom catalysis:Pt1/FeOx for water-gas shift reaction Shan-Fei Wang1,§,Yangyang Li2,3,§,Haiyan Wang1,Jin-xia Liang1(✉),Chun Zhu1

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Nano Research 2024年第9期17卷 8627-8637页

作者： Shan-Fei Wang Yangyang Li Haiyan Wang Jin-xia Liang Chun Zhu Botao Qiao School of Chemistry and Chemical Engineering Guizhou UniversityGuiyang 550025China CAS Key Laboratory of Science and Technology on Applied Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China University of Chinese Academy of Sciences Beijing 100049China

Oxide-supported metal single-atom catalysts(SACs)have exhibited excellent catalytic performance for water-gas shift(WGS)***,we report the single-atom catalyst Pt1/FeOx exhibits excellent medium temperature catalytic performance for WGS reactions by the density functional theory(DFT)calculations and experimental *** calculations indicate that H_(2)O molecules are easily dissociated at oxygen vacancies,and the formed*OH and*O are adsorbed on Pt1 single atoms and the adjacent O atoms,*** studying four possible reaction mechanisms,it is found that the optimal WGS reaction pathway is proceeded along the carboxyl mechanism(pathway III),in which the formation of*COOH intermediates can promote the stability of Pt1/FeOx SAC and the easier occurrence of WGS *** energy barrier of the rate-determining step during the entire reaction cycle is only 1.16 eV,showing the high activity for the medium temperature WGS reaction on Pt1/FeOx SAC,which was verified by experimental ***,the calculated turnover frequencies(TOFs)of CO_(2)and H_(2)formation on Pt1/FeOx at 610 K(337℃)can reach up to 1.14×10^(-3)s^(-1)·site^(-1)through carboxyl *** this work,we further expand the application potential of Pt1/FeOx SAC in WGS reaction.

关键词： water-gas shift(WGS)reaction single-atom catalyst(SAC) density functional theory(DFT) thermocatalysis

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Regional features of pollen R-values in China

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Science China Earth Sciences 2024年第1期67卷 295-308页

作者： Jie xia Jian NI College of Life Sciences Zhejiang Normal UniversityJinhua 321004China Jinhua Mountain Observation and Research Station for Subtropical Forest Ecosystems Jinhua 321004China

Establishing a quantitative relationship between modern pollen and vegetation remains a pivotal but intricate pursuit within the field of Quaternary *** R-value,a well-established and traditional metric characterized by its simplicity and direct applicability,serves to calibrate the nonlinear disparities between surface pollen and modern *** study entails the construction of a comprehensive pollen R-value dataset for China derived from R-values published between 1987 and *** dataset,compiled after rigorous screening,calibration,and standardization processes,encompasses 898 modern pollen sampling sites and 2115 pollen R-value data entries,encapsulating 152 pollen taxa spanning 65 families and 113 *** the extracted R-values yielded the following insights:(1)A macrospatial analysis validates previously established knowledge at a site-specific ***,pollen R-value variations across China are statistically *** two-thirds of pollen taxa exhibit underrepresentation(e.g.,Taxodiaceae,Corylus,Nitraria,Tamarix,Cyperaceae,Poaceae,and Fabaceae),while the remaining one-third display overrepresentation(e.g.,Pinus,Picea,Betula,Ephedra,Chenopodiaceae,and Artemisia).The degree of underrepresentation surpasses that of overrepresentation,and the representation patterns of Castanea,Quercus,Polygonaceae,and Asteraceae are contingent upon vegetation types.(2)Pollen R-values follow distinct spatial distribution patterns within *** the woody vegetation region of eastern China,R-values progressively decline from north to south,correlating with rising temperatures and ***,in herbaceous vegetation regions of northern and western China,R-values decrease from east to west and from northeast to southwest,corresponding to increased ***,pollen R-values manifest variation contingent on pollen taxa,vegetation types,and climatic regions,even differing for the same taxa across varying

关键词： Pollen R-value Modern pollen-vegetation relationship Regional pattern Variability Paleovegetation reconstruction

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“Buckets effect”in the kinetics of electrocatalytic reactions

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Journal of Energy Chemistry 2024年第2期89卷 388-396,I0010页

作者： Haowen Cui Yan-xia Chen Hefei National Laboratory for Physical Sciences at Microscale Department of Chemical PhysicsUniversity of Science and Technology of ChinaHefei 230026AnhuiChina

In this study,we systematically investigated the effect of proton concentration on the kinetics of the oxygen reduction reaction(ORR)on Pt(111)in acidic *** results demonstrate a rectangular hyperbolic relationship,i.e.,the ORR current excluding the effect of other variables increases with proton concentration and then tends to a constant *** consider that this is caused by the limitation of ORR kinetics by the trace oxygen concentration in the solution,which determines the upper limit of ORR kinetics.A model of effective concentration is further proposed for rectangular hyperbolic relationships:when the reactant concentration is high enough to reach a critical saturation concentration,the effective reactant concentration will become a constant *** could be due to the limited concentration of a certain reactant for reactions involving more than one reactant or the limited number of active sites available on the *** study provides new insights into the kinetics of electrocatalytic reactions,and it is important for the proper evaluation of catalyst activity and the study of structureperformance relationships.

关键词： Oxygen reduction reaction Kinetics Zero order Rectangular hyperbolic relationship pH effect

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Asperuloside Promotes Apoptosis of Cervical Cancer Cells through Endoplasmic Reticulum Stress-Mitochondrial Pathway

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Chinese Journal of Integrative Medicine 2024年第1期30卷 34-41页

作者： QI Zhi-min WANG xia LIU xia ZHAO Juan Medical Examination Center Hebei Province Hospital of Chinese MedicineShijiazhuang(050011)China Department of Gynaecology and Obstetrics Hebei Province Hospital of Chinese MedicineShijiazhuang(050011)China Experimental Center for Teaching Hebei Medical UniversityShijiazhuang(050017)China

Objective: To investigate the effects of asperuloside on cervical cancer based on endoplasmic reticulum(ER) stress and mitochondrial pathway. Methods: Different doses(12.5–800 μg/mL) of asperuloside were used to treat cervical cancer cell lines Hela and CaSki to calculate the half maximal inhibitory concentration(IC_(50)) of asperuloside. The cell proliferation was analyzed by clone formation assay. Cell apoptosis, intracellular reactive oxygen species(ROS) and mitochondrial membrane potential were determined by flow cytometry. The protein expressions of cleaved-caspase-3, Bcl-2, Bax, Cyt-c, cleaved-caspase-4 and glucose-regulated protein 78(GRP78) were analyzed by Western blot. And the inhibitor of ER stress, 4-phenyl butyric acid(4-PBA) was used to treat cervical cancer cells to further verify the role of ER stress in the apoptosis of cervical cancer cells induced by asperuloside. Results: Asperuloside of 325, 650, and 1300 μg/mL significantly inhibited the proliferation and promoted apoptosis of Hela and CaSki cells(P<0.01). All doses of asperuloside significantly increased intracellular ROS levels, reduced mitochondrial membrane potential, significantly reduced Bcl-2 protein expression level, and increased Bax, Cyt-c, GRP78 and cleaved-caspase-4 expressions(P<0.01). In addition, 10 mmol/L 4-PBA treatment significantly promoted cell proliferation and reduced apoptosis(P<0.05), and 650 μg/mL asperuloside could reverse 4-PBA-induced increased cell proliferation, decreased apoptosis and cleaved-caspase-3,-4 and GRP78 protein expressions(P<0.05). Conclusion: Our study revealed the role of asperuloside in cervical cancer, suggesting that asperuloside promotes apoptosis of cervical cancer cells through ER stress-mitochondrial pathway.

关键词： asperuloside Chinese medicine cervical cancer endoplasmic reticulum stress mitochondrial damage apoptosis

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A regularization algorithm of dynamic light scattering for estimating the particle size distribution of dual-substance mixture in water

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Particuology 2024年第6期89卷 246-257页

作者： Yanghong Wang Ziqiang Meng Zipei Zhang Min xia Li xia Wei Li School of Optical and Electronic Information Huazhong University of Science and TechnologyWuhan 430074China

Dynamic light scattering(DLS)is a nondestructive,well-established technique for the size characterization of proteins,nanoparticles,polymers,and colloidal ***,current DLS techniques are only applied to particle groups of single composition due to the limitation of their inversion *** this study,we propose a particle size distribution inversion algorithm based on the Tikhnonov regularization method that can be applied to the dual-substance particle *** algorithm retrieves the particle size distributions of two substances,respectively,by taking advantage of their refractive index *** simulation results reveal that the algorithm has excellent accuracy and stability when the scattering angle is 30°.Instead of the original identity matrix,the first-order difference matrix and second-order difference matrix are used as the regular matrix when utilizing the Tikhnonov algorithm,which obviously improves the anti-interference,accuracy,and stability of the ***,the inversion of particle size distribution is carried out at a 0.01%–1%noise level,which shows that the algorithm has an available antinoise ***,experimental particle size measurements for a mixture of polystyrene beads and toner particles demonstrate that the proposed algorithm is superior to the traditional Tikhnonov algorithm in applicability and accuracy.

关键词： Dynamic light scattering Dual-substance mixture Particle sized istribution Tikhnonov regularization

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