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Enhanced charge separation by incomplete calcination modified co-doped TiO_(2)nanoparticle for isothiazolinone photocatalytic degradation

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Nano Research 2024年第6期17卷 4834-4843页

作者： Zhiren Guo Xiao zhang Xinyuan Li Chang Cui Zilei zhang hansheng Li Dongxiang zhang Jinying Li Xiyan Xu Jiatao zhang School of Chemistry and Chemical Engineering Beijing Institute of TechnologyBeijing 102488China Department of Chemistry MSU-BIT UniversityShenzhen 517182Chin

Photocatalytic oxidation techniques are promising for degradation of the highly ecotoxic and refractory isothiazolinone bactericides in relevant industrial ***,low charge separation and directional transport efficiency under solar light radiation restrain their practical ***,we report a nanostructured photocatalyst doped with Gd and B in TiO_(2)with carbon incorporation and defect formation through incomplete *** specific surface area,grain size,and hydrophilicity of TiO_(2)are improved,which is beneficial for the interfacial reaction between the photocatalyst and *** reduction of the bandgap,the broadening of the photo-absorption range,and the retarded electron-hole recombination promote the photocatalytic performance due to the improved oxygen vacancies based on the electron distribution *** difference in partial density of states(ΔPDOS)between the current catalyst and raw TiO_(2)indicates that the co-doping of Gd and B with incomplete calcination changes the electronic hybridization of conduction band and valence band near the Fermi level,and affects the band gap *** improved charge separation and directional transport efficiency and benefited the formation of main active species,including•Oh and O_(2)•−,for the pollutant *** rate of photocatalytic removal of benzisothiazolinone(BIT)by the current photocatalyst reaches 1.25 h^(−1),being 4.31 times that of TiO_(2).The current work offers a constructive approach to the design and synthesis of nanostructured photocatalysts for the photocatalytic degradation of refractory organic pollutants.

关键词： TiO_(2)nanoparticle charge separation oxygen vacancies electron distribution modification photocatalytic degradation

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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

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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

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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

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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

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highly active copper-intercalated weakly crystallized δ-MnO_(2) for low-temperature oxidation of CO in dry and humid air

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Frontiers of Environmental Science & Engineering 2024年第5期18卷 127-136页

作者： hao zhang huinan Li Pengyi zhang Tingxia hu Xianjie Wang State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing100084China Beijing Key Laboratory for Indoor Air quality Evaluation and Control Beijing100084China Midea Corporate Research Center Foshan528311China

Copper intercalated birnessite MnO_(2)(δ-MnO_(2))with weak crystallinity and high specific surface area(421 m^(2)/g)was synthesized by a one-pot redox method and investigated for low-temperature CO *** molar ratio of Cu/Mn was as high as 0.37,which greatly weakened the Mn-O bond and created a lot of low-temperature active oxygen *** situ DRIFTS revealed strong bonding of copper ions with ***-synthesized MnO_(2)-150Cu achieved 100%conversion of 250 ppm CO in normal air(3.1 ppm h_(2)O)even at−10°C under the weight-hourly space velocity(WhSV)of 150 L/(g·h).In addition,it showed high oxygen storage capacity to oxidize CO in inert *** the concurrent moisture in air significantly inhibited CO adsorption and its conversion at ambient temperature,MnO_(2)-150Cu could stably convert CO in 1.3%moisture air at 70°C owing to its great low-temperature activity and reduced competitive adsorption of water with increased *** study discovers the excellent low-temperature activity of weakly crystallized δ-MnO_(2) induced by high content intercalated copper ions.

关键词： CO oxidation Birnessite Interlayer copper Low-temperature Oxygen storage capacity

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Evolution Mechanism of Carbon Covalent Bond during Coal Activation Using Mixed Atmosphere of h_(2)O and CO_(2)

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Journal of Thermal Science 2024年第5期33卷 1961-1973页

作者： WANG Mingyue zhang Siyuan hAN Shaobo zhang Chi REN qiangqiang Institute of Engineering Thermophysics Chinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Coal Conversion Institute of Engineering ThermophysicsChinese Academy of SciencesBeijing 100190China

Adequate destruction of the aromatic structure in coal is key to further reducing the emission of *** this research,activation reactions of Shenmu coal powder were carried out in a vertical tube *** study investigated the evolution mechanism of carbon covalent bonds during the activation process by altering the ratio of h_(2)O to CO_(2)in the activation *** theoretical validation was conducted through density functional *** two gas molecules follow different pathways to increase the reactivity of ***_(2)mainly participates in the cross-linking reaction by intensifying branching,while h_(2)O and char have lower adsorption energy barriers and are more likely to generate oxygen-containing functional *** molecules partially compete for active sites in a mixed gas atmosphere,but there is a synergism between the two *** synergism can be attributed to two *** inclusion of h_(2)O mitigates the generation of five-membered rings to a limited extent,while concurrently enhances the development of oxygen-containing functional *** oxygen-containing functional groups can effectively diminish the adsorption energy barrier associated with the interaction between gas molecules and char,consequently leading to a reduction in the energy demand for subsequent bond cleavage.

关键词： activation reaction carbon structure char CO_(2)/h_(2)O atmosphere density functional theory

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Porous garnet as filler of solid polymer electrolytes to enhance the performance of solid-state lithium batteries

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Nano Research 2024年第4期17卷 2663-2670页

作者： Yang zhang Lei zhang Peng Guo Chaoyan zhang Xiaochuan Ren Zhen Jiang Jianjun Song Chuan Shi College of Physics Qingdao UniversityQingdao 266071China Industrial Research Institute of Nonwovens and Technical Textiles College of Textiles and ClothingQingdao UniversityQingdao 266071China Department of Chemistry University of PennsylvaniaPhiladelphiaPA 19104USA

In order to enhance the ionic conductivity of solid polymer electrolytes(SPEs)and their structural rigidity against lithium dendrite during lithium-ion battery(LIB)cycling,we propose porous garnet Li6.4La3Zr2Al0.2O12(LLZO),as the filler to *** porous LLZO with interlinked grains was synthesized via a resol-assisted cationic coordinative co-assembly *** porous structure of LLZO with high specific surface area facilitates the interaction between polymer and filler and provides sufficient entrance for Li^(+)migration into the LLZO ***,the interconnection of LLZO grains forms continuous inorganic pathways for fast Li^(+)migration,which avoid the multiple diffusion for Li^(+)in *** a result,the SPEs with porous LLZO(SPE-PL)show a high ionic conductive of 0.73 mS·cm^(-1) at 30℃ and lithium-ion transference number of *** porous LLZO with uniformly dispersed pores also acts as an ion distributor to regulate ionic *** lithium-symmetrical batteries assembled with SPE-PL show a highly stable Li plating/stripping cycling for nearly 3000 h at 0.1 mA·cm^(-2).The corresponding Li/LiFePO_(4) batteries also exhibit excellent cyclic performance with capacity retention of 75%after nearly 500 *** work brings new insights into the design of conductive fillers and the optimization of SPEs.

关键词： solid polymer electrolytes lithium metal battery porous conductive filler solid state battery

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Numerical simulation on sand sedimentation and erosion characteristics around hDPE sheet sand barrier under different wind angles

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Journal of Mountain Science 2024年第2期21卷 538-554页

作者： zhang Kai zhang Peili zhang hailong TIAN Jianjin WANG Zhenghui XIAO Jianhua College of Civil Engineering Lanzhou Jiaotong UniversityLanzhou 730000China Key Laboratory of Desert and Desertification Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China Key Laboratory of Ecological Safety and Sustainable Development in Arid Lands Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China

For the safety of railroad operations,sand barriers are utilized to mitigate wind-sand disaster *** disasters,characterized by multi-directional wind patterns,result in diverse angles among the *** this study,using numerical simulations,we examined the behavior of high Density Polyethylene(hDPE)sheet sand barriers under different wind angles,focusing on flow field distribution,windproof efficiency,and sedimentation erosion *** study discovered that at a steady wind speed,airflow velocity varies as the angle between the airflow and the hDPE barrier ***,a 90°angle results in the widest low-speed airflow area on the barrier’s downwind *** the airflow is not perpendicular to the barrier,it prompts a lateral airflow movement which decreases as the angle *** windproof efficiency correlates directly with this angle but inversely with the wind’s ***,with a wind angle of 90°,wind speed drops by 81%.The minimum wind speed is found at 5.1h(the sand barrier height)on the barrier’s downwind *** the angle grows,the barrier’s windproof efficiency improves,extending its protective *** is most prominent on the barrier’s downwind side,as the wind angle shifts from 30°to 90°,the sand sedimentation area on the barrier’s downwind side enlarges by *** the angle grows,sedimentation intensifies,eventually overtakes the forward erosion and enlarges the sedimentation area.

关键词： Multi-wind direction hDPE sheet sand barrier Numerical simulation Windproof efficiency Sedimentation erosion

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Skin supersoliditymatters the performance and functionality of water droplets

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Droplet 2024年第4期3卷 1-9页

作者： Chang q.Sun Yong Zhou hengxin Fang Biao Wang RISE and School of Materials Science&Engineering Dongguan University of TechnologyDongguanChina School of Physics&Sino-French Institute of Nuclear Engineering&Technology Sun Yat-Sen UniversityGuangzhouChina Guangdong Provincial Key Laboratory of Extreme Conditions DongguanChina

Even more fascinating than its bulk parent,a water droplet possesses extraordinary catalytic and hydro-voltaic capability,elastic adaptivity,hydrophobicity,sensitivity,thermal stability,etc.,but the underlying mechanism is still *** emphasize herewith that the h‒O bond follows the universal bond order‒length‒strength cor-relation and nonbonding electron polarization regulation and the hydrogen bond cooperativity and polarizability notion regulates the performance of the coupling hydrogen bond(O:h‒O).Computational and spectrometric evidence consistently shows that molecular undercoordination shortens the intramolecular h‒O bond by up to 10%while lengthening the intermolecular O:h nonbond by 20%cooperatively with an association of electron polarization,making the 0.3-nm thick droplet skin of a supersolid phase of *** supersolid skin dictates the performance and functionality of the droplet in chemical,dielectric,electrical,mechanical,optical,and thermal properties as well as the transport dynamics of electrons and *** amplification of these findings could deepen our insight into the undercoordi-nated aqueous systems,including bubbles and molecular clusters,and promote deep engineering of water and ice.

关键词： performance solid bonding

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