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Journal of Semiconductors 2024年第4期45卷 82-86页

作者： Peng zhang Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province College of Physics andOp toelec-tronic EngineeringShenzhen UniversityShenzhen 518060China

Li_(2)MnO_(3)and Li_(2)RuO_(3)represent two prototype Li-rich transition metal(TM)oxides as high-capacity cathodes for Li-ion batteries,which have similar crystal structures but show quite different cycling ***,based on the first-princi-ples calculations,we systematically studied the electronic structures and defect properties of these two Li-rich cathodes,in order to get more understanding on the structural degradation mechanism in Li-rich TM *** calculations indicated that the structural and cycling stability of Li_(2)MnO_(3)and Li_(2)RuO_(3)depend closely on their electronic structures,especially the energy of their highest occupied electronic states(HOS),as it largely determines the defect properties of these *** Li_(2)MnO_(3)with low-energy HOS,we found that,due to the defect charge transfer mechanism,various defects can form spontaneously in its host structure as Li ions are extracted upon delithiation,which seriously deteriorates its structural and cycling *** for Li_(2)RuO_(3),on the other hand,we identified that the high-energy HOS prevents it from the defect formation upon delithi-ation and thus preserve its cycling *** studies thus illustrated an electronic origin of the structural degradation in Li-rich TM oxides and implied that it is possible to improve their cycling performances by carefully adjusting their TM compo-nents.

关键词： defects Li-ion batteries first-principles calculations

Insights into the provenance implication of leaf wax n-alkanes along the lower Yellow River

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Science China Earth Sciences 2024年第6期67卷 2001-2018页

作者： Liang zhang Jinzhao LIU Chong JIANG Fei zhang Zhisheng AN School of Human Settlements and Civil Engineering Xi’an Jiaotong UniversityXi’an 710054China State Key Laboratory of Loess and Quaternary Geology Institute of Earth EnvironmentChinese Academy of SciencesXi’an 710061China National Observation and Research Station of Earth Critical Zone on the Loess Plateau of Shaanxi Xi’an 710061China

Serving as one of the largest rivers in terms of both sediment and organic carbon transport fluxes in the world,the Yellow River plays a crucial role in regional biogeochemical process as well as in the global carbon ***,although a large number of studies have been carried out on the flux,composition,source and seasonal variation of total particulate organic carbon in the Yellow River so far,studies on molecular biomarkers at different spatial and temporal scales are still *** this study,we focus on the molecular and hydrogen isotopic properties of leaf wax n-alkanes among different types of samples which obtained from different seasons(flood ***-flood)along the lower Yellow *** molecular distribution of n-alkanes show that the riparian topsoils are subject to inputs from the overlying vegetation,while the suspended sediments from the flood season are characterized by the mixing of soil materials which originate from various stratigraphy with different ages on the Chinese Loess *** to the contrasting hydrodynamic conditions,the n-alkanes in suspended sediments also show distinct molecular composition between flood and non-flood ***,considering the effect of climatic factors,the proportion of monocots in flood-season suspended sediments is calculated from a semi-quantitative perspective using δ^(2)H_(wax).Our findings may bring to light new considerations for the interpretation of leaf wax proxies in studies of organic matter sources of Yellow River.

关键词： Molecular distribution Hydrogen isotopic composition Leaf wax n-alkanes Suspended sediments Lower Yellow River

Near-surface wind field characteristics of the desert-oasis transition zone in Dunhuang,China

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Journal of Arid Land 2024年第5期16卷 654-667页

作者： PAN Jiapeng zhang Kecun AN Zhishan zhang Yu Key Laboratory of Desert and Desertification&Dunhuang Gobi and Desert Ecology and Environment Research Station Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China University of Chinese Academy of Sciences Beijing 100049China

The desert-oasis transition zone(DOTZ)serves as a buffer area between the desert and *** its wind field characteristics is of great significance for the prevention and control of aeolian disasters in the *** this study,we used meteorological data during 2013–2019 from the portable meteorological stations at five sites(site A on the edge of the oasis,sites B,C,and D in the DOTZ,and site O in the desert)in Dunhuang,China to analyze the near-surface wind field characteristics and their causes,as well as to reveal the key role of the DOTZ in oasis *** results showed that the mean wind speed,frequency of sand-driving wind,and directional variability of wind decreased from west to east within the DOTZ,and wind speed was significantly affected by air *** terrain influenced the prevailing winds in the region,mainly from northeast and *** some areas adjacent to the oasis were controlled by southeasterly *** indicated that the near-surface wind field characteristics of the DOTZ were caused by the combined effects of local terrain and surface hydrothermal *** site D,the annual drift potential(DP)was 24.95 vector units(VU),indicating a low wind energy environment,and the resultant drift direction(RDD)showed obvious seasonal ***,the DOTZ played an important buffering role between the desert and *** with the desert,the mean wind speed in the oasis decreased by 64.98%,and the prevailing wind direction was more *** results of this study will be useful in interpreting the aeolian activity of the DOTZ in Dunhuang.

关键词： desert-oasis transition zone near-surface wind field hydrothermal difference sand-driving wind aeolian environment Dunhuang

Microscopic ensemble bootstrap in phase space

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Communications in Theoretical Physics 2024年第6期76卷 72-76页

作者： Yu zhang College of Mechanics and Engineering Science Hohai UniversityNanjing 211100China

The bootstrap method which has been studied under many quantum mechanical models turns out to be feasible in microcanonical ensembles as *** the approach of Nakayama(2022 ***.A 372250054)produces a sector when energy is negative,in this paper we report a method that has stronger constraints and results in a smaller *** also study other models to demonstrate the effectiveness of our method.

关键词： numerical bootstrap microcanonical ensemble Poisson bracket bootstrap oscillator

One-cycles on Gushel-Mukai fourfolds and the Beauville-Voisin filtration

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Science China Mathematics 2024年第4期67卷 713-732页

作者： Ruxuan zhang School of Mathematical Sciences Fudan UniversityShanghai 200438China

We prove that the invariant locus of the involution associated with a general double EisenbudPopescu-Walter(EPW)sextic is a constant cycle surface and introduce a filtration on CH1of a Gushel-Mukai *** verify the sheaf/cycle correspondence for sheaves supported on low-degree rational curves,parallel to the case of cubic fourfolds of Shen-Yin’s work.

关键词： Beauville-Voisin ltration irreducible holomorphic symplectic variety Gushel-Mukai fourfold

Environmental arsenic(As)and its potential relationship with endemic disease in southwestern China

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Journal of Environmental Sciences 2024年第5期139卷 46-59页

作者： Donglin Li Hucai zhang Fengqin Chang Lizeng Duan Yang zhang Institute for Ecological Research and Pollution Control of Plateau Lakes School of Ecology and Environmental ScienceYunnan UniversityKunming 650500China Southwest United Graduate School Kunming 650500China

Many cases of an unknown disease exhibiting the clinical features of limb gangrene,blisters,ulceration,and exfoliation have been reported in Daping village(DV)in southwestern ***,the pathogenesis is unknown and has puzzled doctors for many years.A preliminary study on heavy metals and symptoms indicated that arsenic might pose the greatest threat to the health of local ***,to explore the sources of and factors influencing arsenic enrichment in DV,whose residents exhibit signs of arsenic poisoning,the As contents in soil,water,and plants were systematically *** results indicated high As contents in plant and soil samples obtained from the area,and the source of As may be linked to the weathering of black shale *** of soil and consumption of plants were the two main As exposure pathways among children and adults,respectively,and children exhibited a higher health risk than *** presume and emphasize that when extreme drought events occur,humans might face unusual risks resulting from exposure to toxic elements and the direct consumption of highly polluted *** study provides a new perspective and sheds light on the environmental geochemistry and health links of this disease.

关键词： Endemic disease Arsenic(As) Risk assessment Black shale Climate change

Deflagration characteristics of freely propagating flames in magnesium hydride dust clouds

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Defence Technology（防务技术） 2024年第1期31卷 471-483页

作者： Qiwei zhang Yangfan Cheng Beibei zhang Danyi Li Zhaowu Shen School of Chemical Engineering Anhui University of Science and TechnologyHuainan 232001AnhuiPR China School of Civil Engineering and Architecture Anhui University of Science and TechnologyHuainan 232001AnhuiPR China Anhui Engineering Laboratory of Explosive Materials and Technology Anhui University of Science and TechnologyHuainan 232001AnhuiPR China School of Engineering Science University of Science and Technology of ChinaHefei 230027AnhuiPR China

The flame propagation processes of MgH_(2)dust clouds with four different particle sizes were recorded by a high-speed *** dynamic flame temperature distributions of MgH_(2)dust clouds were reconstructed by the two-color pyrometer technique,and the chemical composition of solid combustion residues were *** experimental results showed that the average flame propagation velocities of 23μm,40μm,60μm and 103μm MgH_(2)dust clouds in the stable propagation stage were 3.7 m/s,2.8 m/s,2.1 m/s and 0.9 m/s,*** dust clouds with smaller particle sizes had faster flame propagation velocity and stronger oscillation intensity,and their flame temperature distributions were more even and the temperature gradients were *** flame structures of MgH_(2)dust clouds were significantly affected by the particle sinking velocity,and the combustion processes were accompanied by micro-explosion of *** falling velocities of 23μm and 40μm MgH_(2)particles were 2.24 cm/s and 6.71 cm/s,*** the falling velocities of 60μm and 103μm MgH_(2)particles were as high as 15.07 cm/s and 44.42 cm/s,respectively,leading to a more rapid downward development and irregular shape of the ***,the dehydrogenation reaction had a significant effect on the combustion performance of MgH_(2)*** combustion of H_(2)enhanced the ignition and combustion characteristics of MgH_(2)dust,resulting in a much higher explosion power than the pure Mg *** micro-structure characteristics and combustion residues composition analysis of MgH_(2)dust indicated that the combustion control mechanism of MgH_(2)dust flame was mainly the heterogeneous reaction,which was affected by the dehydrogenation reaction.

关键词： Magnesium hydride dust Flame combustion mechanism Particle size Dust explosion Two-color pyrometer

Toughening additive manufactured Zr-based bulk metallic glass composites by martensite phase transformation

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Journal of Materials Science & Technology 2024年第3期170卷 95-102页

作者： Pengcheng zhang Cheng zhang Jie Pan Di Ouyang Lin Liu State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China

Additive manufacturing technology based on laser powder bed fusion(LPBF)offers a novel approach for fabricating bulk metallic glass(BMG)products without restriction in size and ***,the BMGs prepared by LPBF usually suffered from less plasticity and poorer fracture toughness as compared to their cast counterparts due to partial crystallization in heat-affected zones(HAZs).Since crystallization in HAZs is hard to avoid completely in LPBF BMGs,it is desirable to design a suitable alloy system,in which only ductile crystalline phase,instead of brittle intermetallics,is formed in *** unique structure could effectively increase the toughness/plasticity of the LPBF *** achieve this goal,a quaternary BMG system with a composition of Zr_(47.5)Cu_(45.5)Al_(5)Co_(2)is adopted and subjected to *** is found that nearly a single phase of B_(2)-ZrCu is precipitated in HAZs,while a fully amorphous phase is formed in molten pools(MPs).This B_(2)phase reinforced BMG composite exhibits excellent mechanical properties with enhanced plasticity and ***,it is easy to modulate the mechanical properties by altering the amount of the B_(2)phase via adjusting the laser energy ***,the best combination of strength,plasticity,and notch toughness is obtained in the BMG composite containing 27.4%B_(2)phase and 72.6%amorphous phase,which exhibits yield strength(σ_(s))of 1423 MPa,plastic strain(ε_(p))of 4.65%,and notch toughness(K_(q))of 53.9 MPa m 1/***,a notable strain-hardening is also *** improvement of plasticity/toughness and appearance of strain-hardening behavior are mainly due to the martensite phase transformation from the B_(2)phase to the Cm phase during plastic deformation(i.e.,the phase transformation-induced plasticity effect).The current work provides a guide for making advanced BMGs and BMG composites by additive manufacturing.

关键词： Laser powder bed fusion Bulk metallic glass composites Phase transformation-induced plasticity Deformation mechanism

A bifunctional POM-based Cu-viologen complex with mixed octamolybdate clusters for rapid oxidation desulfurization and effective photogeneration of hydrogen

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Rare Metals 2024年第1期43卷 236-246页

作者： Lin Yang Zhong zhang Chao-Nan zhang Xiu-Li Wang College of Chemistry and Materials Engineering Bohai UniversityJinzhou 121013China Professional Technology Innovation Center of Liaoning Province for Conversion Materials of Solar Cell Bohai UniversityJinzhou 121013China

The design and synthesis of catalysts for the oxidation desulfurization and production of hydrogen are extremely important for solving environmental pollution and energy ***,a novel bifunctional [α-Mo_(8)O_(26)]^(4-)/[β-Mo_(8)O_(26)]^(4-)-based Cu-viologen complex H_(4)[Cu_(2)~ⅠCl_(2)(Hbcbpy)_(4)] [α-Mo_(8)O_(26)] [β-Mo8O_(26)]·H_(2)O(BHU-2,Hbcbpy=1-(4-carboxybenzyl)-4,4'-bipyridinium) was synthesized and characterized by single-crystal X-ray diffraction(XRD),infrared radiation spectra,powder X-ray diffraction(PXRD) and X-ray photoelectron spectroscopy(XPS) *** structural characteristic of BHU-2 is the presence of two types of octamolybdate clusters [α-Mo_(8)O_(26)]^(4-)/[β-Mo_(8)O_(26)]^(4-)and a new binuclear Cu~Ⅰ-Hbcbpy complex linked by Cl-bridges[Cu_(2)ⅠCl_(2)(Hbcbpy)_(4)]^(4+).BHU-2 as a heterogeneous catalyst exhibits excellent activities to the oxidation desulfurization and photocatalytic hydrogen *** room temperature,BHU-2 can catalyze 96% conversion of methyl phenyl sulfide with 98% selectivity,and the process obeys the pseudo-first-order reaction kinetic with the half-life of9.6 *** notorious 2-chloroethyl ethyl sulfide can achieve 99% conversion with 98% selectivity within only1 min at the presence of BHU-2,and the turnover frequency(TOF) is up to 7400 h^(-1).BHU-2 also exhibits high catalytic activity for the oxidation of other aromatic and aliphatic thioethers within short time at room ***,BHU-2 shows a high catalytic activity for visible-light-driven hydrogen evolution with an H_(2) evolution rate of 1677.85 μmol·g^(-1)·h^(-1) within 10 ***,the catalytic activities do not decrease evidently after three cycles,revealing the prominent structural stability and recyclability.

关键词： Polyoxometalate Metal-organic complex Viologen Oxidation desulfurization Photocatalytic hydrogen production

Recyclable hydrolyzed polymers of intrinsic microporosity-1/Fe_(3)O_(4) magnetic composites as adsorbents for selective cationic dye adsorption

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Frontiers of Chemical Science and Engineering 2024年第2期18卷 113-125页

作者： Feng zhang Shuainan Xu Xiumei Geng Meixia Shan Yatao zhang School of Chemical Engineering Zhengzhou UniversityZhengzhou 450001China

Polymers of intrinsic microporosity shows great potential for dye adsorption and magnetic Fe_(3)O_(4) are easy to be *** this work,hydrolyzed polymers of intrinsic microporosity-1/Fe_(3)O_(4) composite adsorbents were prepared by phase inversion and hydrolysis process for cationic dye *** chemical structure and morphology of the composite adsorbents were systematically characterized by several characterization *** methylene blue as the target dye,the influences of solution pH,contact time,initial dye concentration,and system temperature on the methylene blue adsorption process were *** incorporation of Fe_(3)O_(4) particle into hydrolyzed polymers of intrinsic microporosity-1 endow the adsorbent with high magnetic saturation(20.7 emu·g^(–1))which allows the rapid separation of the ***,the adsorption process was simulated by adsorption kinetics,isotherms and thermodynamics to gain insight onto the intrinsic adsorption *** addition,the composite adsorbents are able to selectively adsorb cationic dyes from mixed dyes *** polymers of intrinsic microporosity/Fe_(3)O_(4) shows only a slight decrease for methylene blue adsorption after 10 adsorption/regeneration cycles,demonstrating the outstanding regeneration *** high adsorption capacity,outstanding regeneration ability,together with simple preparation method,endow the composite adsorbents great potential for selective removal of cationic dyes in wastewater system.

关键词： polymers of intrinsic microporosity magnetic adsorbent cationic dye adsorption