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Suppress oxygen evolution of lithium-rich manganese-based cathode materials via an integrated strategy

Green Energy & Environment 2024年第1期9卷 138-151页

作者： Wenhua Yu Yanyan Wang Aimin Wu Aikui Li Zhiwen Qiu Xufeng dong Chuang dong Hao Huang Key Laboratory of Energy Materials and Devices(Liaoning Province) School of Materials Science and EngineeringDalian University of TechnologyDalian116024Liaoning ProvinceChina Dalian Engineering Research Center for New Electric Power Systerms School of Electrical EngineeringDalian University of TechnologyDalian116024Liaoning ProvinceChina

Improving the reversibility of anionic redox and inhibiting irreversible oxygen evolution are the main challenges in the application of high reversible capacity Li-rich Mn-based cathode materials.A facile synchronous lithiation strategy combining the advantages of yttrium doping and LiYO_(2) surface coating is *** doping effectively suppresses the oxygen evolution during the delithiation process by increasing the energy barrier of oxygen evolution reaction through strong Y–O bond ***_(2) nanocoating has the function of structural constraint and protection,that protecting the lattice oxygen exposed to the surface,thus avoiding irreversible *** an Li^(+) conductor,LiYO_(2) nano-coating can provide a fast Li^(+) transfer channel,which enables the sample to have excellent rate *** synergistic effect of Y doping and nano-LiYO_(2) coating integration suppresses the oxygen release from the surface,accelerates the diffusion of Li^(+)from electrolyte to electrode and decreases the interfacial side reactions,enabling the lithium ion batteries to obtain good electrochemical *** lithium-ion full cell employing the Y-1 sample(cathode)and commercial graphite(anode)exhibit an excellent specific energy density of 442.9 Wh kg^(-1) at a current density of 0.1C,with very stable safety performance,which can be used in a wide temperature range(60 to-15℃)stable *** result illustrates a new integration strategy for advanced cathode materials to achieve high specific energy density.

关键词： Lithium-rich manganese-based cathodes Lithium ion batteries Oxygen redox Oxygen evolution Integrated strategy

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Numerical Investigations on the Resonance Errors of Multiscale Discontinuous Galerkin Methods for One-Dimensional Stationary Schrödinger Equation

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Communications on Applied Mathematics and Computation 2024年第1期6卷 311-324页

作者： Bo dong Wei Wang Department of Mathematics University of Massachusetts DartmouthNorth DartmouthMA02747USA Department of Mathematics and Statistics Florida International UniversityMiamiFL33199USA

In this paper,numerical experiments are carried out to investigate the impact of penalty parameters in the numerical traces on the resonance errors of high-order multiscale discontinuous Galerkin(DG)methods(dong et *** J Sci Comput 66:321–345,2016;dong and Wang in J Comput Appl Math 380:1–11,2020)for a one-dimensional stationary Schrödinger *** work showed that penalty parameters were required to be positive in error analysis,but the methods with zero penalty parameters worked fine in numerical simulations on coarse *** this work,by performing extensive numerical experiments,we discover that zero penalty parameters lead to resonance errors in the multiscale DG methods,and taking positive penalty parameters can effectively reduce resonance errors and make the matrix in the global linear system have better condition numbers.

关键词： Discontinuous Galerkin(DG)method Multiscale method Resonance errors One-dimensional Schrödinger equation

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Could π-aromaticity cross an unsaturated system to a fully saturated one?

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Chinese Chemical Letters 2024年第6期35卷 298-302页

作者： Shicheng dong Jun Zhu State Key Laboratory of Physical Chemistry of Solid Surfaces Collaborative Innovation Center of Chemistry for Energy Materials(iChem)Fujian Provincial Key Laboratory of Theoretical and Computational ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China School of Science and Engineering The Chinese University of Hong KongShenzhen 518172China

The classification of π-/σ-aromaticity depends on the electrons with the dominating ***,π-andσ-aromaticity are used to describe the unsaturated and saturated systems,***,it is rarely reported that π-aromaticity is dominated in a saturated *** we demonstrate that π-aromaticity could be dominating in several fully saturated four-membered rings(4MRs),supported by various aromaticity indices including ΔBL,NICS,EDDB,MCI,and Ad *** origin of suchπ-aromaticity in saturated rings could be attributed to an introduction of two additional electrons into the π-type LUMO of the parent neutral *** findings represent a novel approach to achieve π-aromaticity into a fully saturated system which has traditionally been dominated by σ-aromaticity.

关键词： π-Aromaticity Saturated rings Silicon

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High-Efficiency Wideband Transmitarray Antenna Using Polarization-Rotating Elements with Parasitic Stubs

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Chinese Journal of Electronics 2024年第2期33卷 496-503页

作者： Xi WANG Yuandan dong University of Electronic Science and Technology of China

A high-efficiency polarization-rotating transmitarray antenna(TA) using wideband elements is proposed for millimeter-wave applications. The polarization-rotating element consists of three metallic layers and two substrates. Orthogonal polarizers are employed on the top and bottom of the element. And the split ring with a parasitic stub on the middle layer is symmetric about the diagonal, performing the polarization rotation and phase compensation simultaneously. A parasitic stub is designed to decrease transmission loss and broaden the bandwidth. The periodicity of the element is only 1/4 wavelength at 30 GHz. A prototype TA with 28 × 28 elements is designed, fabricated, and measured. The measured peak gain reaches 27.5 d Bi at 37.8 GHz. The 1-d B gain drop bandwidth is 30.8–40 GHz(26.0%).The aperture efficiency reaches as high as 71% at 31.5 GHz. Within the bandwidth of 26.5–38.8 GHz(37.7%), the aperture efficiency is higher than 50%. The proposed polarization-rotating TA features wide bandwidth and high efficiency, demonstrating great application potential for 5G millimeter-wave communication.

关键词： Wavelength measurement Transmitting antennas Prototypes Apertures Gain measurement Propagation losses Broadband antennas

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Investigating the Absorption and Desorption Behavior of Methylene Chloride in the Poly(aryl ether ketone) Film with Different Crystallinities

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Chinese Journal of Polymer Science 2024年第2期42卷 239-246,I0009页

作者： Hong-Ru Yang Jin-dong Zhang dong-Ting Gao Gang Liu Chun-Hai Chen Jia-Nan Yao Center for Advanced Low-Dimension Materials State Key Laboratory for Modification of Chemical Fibers and Polymer MaterialsCollege of Materials Science and EngineeringDonghua UniversityShanghai201620China

Poly(aryl ether keton e)(PAEK) films with different crystallinities were obtained by controlling the cooling rate,which were subjected to the absorption and desorption of methylene chloride(CH_(2)Cl_(2)).We employed attenuated total reflection Fourier transform infrared(ATR-FTIR)spectroscopy analyses to investigate the diffusion behavior of CH_(2)Cl_(2) in PAEK films with different *** to the Fickian diffusion model,the calculated diffu sion coefficients of CH_(2)Cl_(2) in PAEK films were observed to decrease with increasing *** effect of CH_(2)Cl_(2)absorption and desorption on the mechanical properties of PAEK films with different crystallinity was further analyzed using tensile *** tensile tests exhibited that CH_(2)Cl_(2) has two concurrent effects:plasticization and solvent-induced *** scanning calorimetry(DSC) and wide-angle X-ray diffraction(WXRD) techniques further confirmed solvent-induced crystallization *** results would be beneficial to understand the solvent resistance of PAEK materials and consequently provide the practical application conditions of PAEK with a theoretical basis.

关键词： Poly(aryl ether ketone) Diffusion behavior Infrared spectra Solvent-induced crystallization Mechanical properties

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Real-time model correction using Kalman filter for Raman-controlled cell culture processes

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Chinese Journal of Chemical Engineering 2024年第6期70卷 251-260页

作者： Xiaoxiao dong Zhuohong He Xu Yan dong Gao Jingyu Jiao Yan Sun Haibin Wang Haibin Qu Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Hisun Biopharmaceutical Co.Ltd. Hangzhou 311404China

Raman spectroscopy has found extensive use in monitoring and controlling cell culture *** this context,the prediction accuracy of Raman-based models is of paramount ***,models established with data from manually fed-batch cultures often exhibit poor performance in Raman-controlled ***,there is a need for effective methods to rectify these *** objective of this paper is to investigate the efficacy of Kalman filter(KF)algorithm in correcting Raman-based models during cell ***,partial least squares(PLS)models for different components were constructed using data from manually fed-batch cultures,and the predictive performance of these models was ***,various correction methods including the PLS-KF-KF method proposed in this study were employed to refine the PLS ***,a case study involving the auto-control of glucose concentration demonstrated the application of optimal model correction *** results indicated that the original PLS models exhibited differential performance between manually fed-batch cultures and Raman-controlled *** glucose,the root mean square error of prediction(RMSEP)of manually fed-batch culture and Raman-controlled culture was 0.23 and 0.40 g·*** the implementation of model correction methods,there was a significant improvement in model performance within Raman-controlled *** RMSEP for glucose from updating-PLS,KF-PLS,and PLS-KF-KF was 0.38,0.36 and 0.17 g·L-1,***,the proposed PLS-KF-KF model correction method was found to be more effective and stable,playing a vital role in the automated nutrient feeding of cell cultures.

关键词： Raman spectroscopy Model correction Algorithm Model-predictive control Bioprocess

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A Degree Condition for Graphs Having All(a,b)-parity Factors

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Acta Mathematicae Applicatae Sinica 2024年第3期40卷 656-664页

作者： Hao-dong LIU Hong-liang LU School of Mathematics and Statistics Xi'an Jiaotong UniversityXi'an 710049China

Let a and b be positive integers such that a≤b and a≡b(mod 2).We say that G has all(a,b)-parity factors if G has an h-factor for every function h:V(G)→{a,a+2,…,b-2,b} with b|V(G)| even and h(v)≡b(mod 2) for all v∈V(G).In this paper,we prove that every graph G with n≥2(b+1)(a+b) vertices has all(a,b)-parity factors if δ(G)≥(b^(2)-b)/a,and for any two nonadjacent vertices u,v ∈V(G),max{d_(G)(u),d_(G)(v)}≥bn/a+***,we show that this result is best possible in some sense.

关键词： degree condition all(a,b)-factors

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Three-dimensional finite element simulation and reconstruction of jointed rock models using CT scanning and photogrammetry

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第4期16卷 1348-1361页

作者： Yingxian Lang Zhengzhao Liang Zhuo dong State Key Laboratory of Coastal and Offshore Engineering Dalian University of TechnologyDalian116024China School of Energy Science and Engineering Henan Polytechnic UniversityJiaozuo454003China

The geometry of joints has a significant influence on the mechanical properties of *** simplify the curved joint shapes in rocks,the joint shape is usually treated as straight lines or planes in most laboratory experiments and numerical *** this study,the computerized tomography (CT) scanning and photogrammetry were employed to obtain the internal and surface joint structures of a limestone sample,*** describe the joint geometry,the edge detection algorithms and a three-dimensional (3D) matrix mapping method were applied to reconstruct CT-based and photogrammetry-based jointed rock *** comparison tests,the numerical uniaxial compression tests were conducted on an intact rock sample and a sample with a joint simplified to a plane using the parallel computing *** results indicate that the mechanical characteristics and failure process of jointed rocks are significantly affected by the geometry of *** presence of joints reduces the uniaxial compressive strength (UCS),elastic modulus,and released acoustic emission (AE) energy of rocks by 37%–67%,21%–24%,and 52%–90%,*** to the simplified joint sample,the proposed photogrammetry-based numerical model makes the most of the limited geometry information of *** UCS,accumulative released AE energy,and elastic modulus of the photogrammetry-based sample were found to be very close to those of the CT-based *** UCS value of the simplified joint sample (i.e.38.5 MPa) is much lower than that of the CT-based sample (i.e.72.3 MPa).Additionally,the accumulative released AE energy observed in the simplified joint sample is 3.899 times lower than that observed in the CT-based *** scanning provides a reliable means to visualize the joints in rocks,which can be used to verify the reliability of photogrammetry *** application of the photogrammetry-based sample enables detailed analysis for estimating the mechanical properties of jointed rocks.

关键词： X-ray computerized tomography(CT)scanning Photogrammetry Parallel computing Numerical simulation Uniaxial compression test Digital image processing

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Design strategies for rechargeable aqueous metal-ion batteries

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Science China Chemistry 2024年第1期67卷 165-190页

作者： Yang Li Xin Zhao Yifu Gao Yichen Ding Zhichun Si Liubing dong dong Zhou Feiyu Kang Tsinghua Shenzhen International Graduate School Tsinghua UniversityShenzhen 518055China College of Chemistry and Materials Science Jinan UniversityGuangzhou 511443China

Rechargeable aqueous metal-ion batteries(AMBs)have attracted extensive scientific and commercial interest due to their potential for cost-effective,highly safe,and scalable stationary energy ***,their limited output voltage,inadequate energy density,and poor reversibility of ambiguous electrode reactions in aqueous electrolytes strongly limit their practical *** review aims to elucidate the challenges of existing AMBs from the material design to whole device *** summarize the emerging electrochemistry,fundamental properties,and key issues in interfacial behaviors of various classes of prevailing AMBs,including aqueous alkali metal-ion batteries and multivalent-ion batteries,and present an appraisal of recent advances for addressing the performance ***,the progress of zinc-ion batteries is highlighted to provide a ubiquitous guideline for their commercialization in the grid-scale energy ***,we figure out the dominating general challenges for achieving high-performance AMBs,laying out a perspective for future breakthroughs.

关键词： aqueous metal-ion batteries aqueous alkali metal-ion batteries zinc-ion batteries interfacial behavior stationary energy storage

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Density functional theory study of B- and Si-doped carbons and their adsorption interactions with sulfur compounds

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Carbon Energy 2024年第2期6卷 195-208页

作者： Peng Guo Hong Zhang Shuliang dong Libao An College of Mechanical Engineering North China University of Science and TechnologyTangshanHebeiChina College of Life Sciences North China University of Science and TechnologyTangshanHebeiChina

Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion *** this paper,properties of intrinsic B or Si single-atom doped,and B-Si codoped graphene(GR)and graphdiyne(GDY)were investigated by using density functional theory-based calculations,in which the optimal doping configurations were explored for potential applications in adsorbing sulfur *** showed that both B or Si single-atom doping and B-Si codoping could substantially enhance the electron transport properties of GR and GDY,improving their surface ***,B and Si atoms displayed synergistic effects for the codoped configurations,where B-Si codoped GR/GDY exhibited much better performance in the adsorption of sulfurcontaining chemicals than single-atom doped *** addition,results demonstrated that,after B-Si codoping,the adsorption energy and charge transfer amounts of GDY with sulfur compounds were much larger than those of GR,indicating that B-Si codoped GDY might be a favorable material for more effectively interacting with sulfur reagents.

关键词： adsorption density functional theory doping graphdiyne graphene sulfur compounds

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