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Theoretical and experimental design in the study of sulfide-based solid-state battery and interfaces

Chinese Chemical Letters 2024年第2期35卷 242-251页

作者： Hongjie Xu Yujie Su Chenggong Zheng Yuchen Wang Yuping Tong Zhongzheng Yang Junhua Hu School of materials Science and Engineering North China University of Water Resources and Electric PowerZhengzhou 450046China School of materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China henan titanium based advanced materials industrial research institute Jiaozuo 454191China

In recent years,due to the increasing demand for portable electronic devices,rechargeable solid-state battery technology has developed rapidly.Lithium-ion batteries are the systems of choice,offering high energy density,flexible and lightweight design,and longer lifespan than comparable battery technologies.Therefore,a better understanding of the relationship between electrochemical mechanism and structural properties from theory and experiment will enable us to accelerate the development of high-performance and security batteries.This review discusses the interplay between theoretical calculation and experiment in the study of lithium ion battery materials.We introduce the application of theoretical calculation method in solid-state batteries through the combination of theory and experiment.We present the concept and assembly technology of solid-state batteries are reviewed.The basic parameters of solid-state electrolytes,especially sulfide-based solid-state electrolytes and their interface mechanisms with high-voltage cathode materials,are analyzed by theoretical methods.We present an overview on the scientific challenges,fundamental mechanisms,and design strategies for solid-state batteries,especially focusing on the issues of stability on solid-state electrolytes and the associated interfaces with both cathode and electrolyte.Owing to the theoretical models,we can not only reveal the unprecedented mechanism from the atomic scale,but also analyze the interface problems in the battery thoroughly,thus effectively designing more promising electrolyte and interface coating materials.It blazed a new trial for engineering an interphase with improved interfacial compatibility for a long-term cyclability.

关键词： Theoretical simulation Sulfide-based electrolytes All solid-state battery Cathode-electrolyte interface Interface compatibility

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Effect of Ti_(p) Content on the Work Hardening and Softening Behavior of Mg-Zn-Ca Alloy

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Acta Metallurgica Sinica(English Letters) 2024年第3期37卷 551-560页

作者： Jin-Kai Zhang Cui-Ju Wang Yi-Dan Fan Chao Xu Kai-Bo Nie Kun-Kun Deng Shanxi Key Laboratory of advanced Magnesium-based materials College of Materials Science and EngineeringTaiyuan University of TechnologyTaiyuan 030024China School of materials Science and Engineering Harbin Institute of TechnologyHarbin 150001China

The Ti_(p)/ZX60 composites with different Ti_(p) contents were prepared by semi-solid stirring casting.After extrusion,the microstructure,work hardening and softening behavior of the Ti_(p)/ZX60 composites were analyzed compared with the ZX60(Mg-6Zn-0.2Ca)alloy.The results showed that the addition of Ti_(p) could not only promote the nucleation of dynamic recrystallized(DRXed)grains,but also be propitious to the refinement of DRXed grains.With increasing Ti_(p) content,the size of DRXed grains decreased accompanied with increasing volume fraction of DRXed grains.As the Ti_(p) content increased to 15 vol.%,the average size and volume fraction of DRXed grains reached to~0.32μm and 93.2%,respectively.Besides,both the strength and elongation were improved by the addition of Ti_(p).With increasing content of Ti_(p),a substantial increase in the strength was achieved with little change in the elongation.However,the elongation decreased sharply when the Ti_(p) content further increased to 15 vol.%.The addition of Ti_(p) led to an increase in the work hardening rate,which gradually increased with increasing Ti_(p) content.However,the softening rate did not demonstrate the same tendency with increasing Ti_(p) content.Unlike the conventional ceramic particles,the Ti_(p) can be deformed in coordination with the matrix alloy,which imparted a higher softening rate to the matrix alloy.Even though the softening rate improved as the Ti_(p) content increased from 5 to 10 vol.%,it dropped deeply as the Ti_(p) content increased to 15 vol.%owing to the fracture of Ti_(p) during extrusion.

关键词： titanium particle content Particle reinforced magnesium matrix composites Work hardening Softening behavior Mechanical properties

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Decoupled water electrolysis:Flexible strategy for pure hydrogen production with small voltage inputs

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Journal of Energy Chemistry 2024年第7期94卷 340-356页

作者： Kexin Zhou Jiahui Huang Daili Xiang Aijiao Deng Jialei Du Hong Liu institute for advanced Interdisciplinary research(iAIR) Collaborative Innovation Center of Technology and Equipment for Biological Diagnosis and Therapy in Universities of ShandongUniversity of JinanJinan 250022ShandongChina State Key Laboratory of Crystal materials Shandong UniversityJinan 250100ShandongChina Zhengzhou Vocational College of industrial Safety Zhengzhou 451192HenanChina

Hydrogen gas is widely regarded as an ideal green energy carrier and a potential alternative to fossil fuels for coping with the aggravating energy crisis and environmental pollution.Currently,the vast majority of the world's hydrogen is produced by reforming fossil fuels;however,this hydrogen-making technology is not sustainable or environmentally friendly because ofits high energy consumption and large carbon emissions.Renewables-driven water splitting(2H_(2)0-2H_(2)+0_(2))becomes an extensively studied scheme for sustain-able hydrogen production.Conventional water electrolysis requires an input voltage higher than 1.23 V and forms a gas mixture of H_(2)/O_(2),which results in high electricity consumption,potential safety hazards,and harmful reactive oxygen species.By virtue of the auxiliary redox mediators(RMs)as the robust H^(+)/e^(-)reservoir,decoupled electrolysis splits water at a much lower potential and evolves O_(2)(H_(2)O+RMS_(ox)-O_(2)+H-RMS_(red))and H_(2)(H-RMS_(red)-H_(2)+RMS_(ox))at separate times,rates,and spaces,thus pro-ducing the puretarget hydrogen gas safely.Decoupled electrolysis has accelerated the development ofwater electrolysis technology for H_(2) production.However,itis still lack of a comprehensive and in-depth review in this field based on different types of RMs.This review highlights the basic principles and critical progress of this emerging water electrolysis mode over the past decade.Several representative examples are then dis-played in detail according to the differences in the RMs.The rational choice and design of RMs have also been emphasized.Subsequently,novel applications of decoupled water splitting are briefly discussed,including the manufacture of valuable chemicals,Cl_(2) production,pollutant degradation,and other half-reactions in artificial photosynthesis.Finally,thekey characteristics and disadvantages of each type of mediator are sum-marized in depth.In addition,we present an outlook for future directions in decoupled water splitting.Thus,the flexibility in the des

关键词： Hydrogen production Conventional water splitting Decoupled water splitting Redox mediators Biomimetics

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Novel high-voltage cathode for aqueous zinc ion batteries:Porous K_(0.5)VOPO_(4)·1.5H_(2)O with reversible solid-solution intercalation and conversion storage mechanism

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Journal of Energy Chemistry 2024年第6期93卷 71-78,I0003页

作者： Liyu Wang Mingliang Zhao Xiaoyu Zhang Menghua Wu Yu Zong Yu Chen Xinliang Huang Mingjie Xing Xin Ning Wen Wen Daming Zhu Xiaochuan Ren industrial research institute of Nonwovens&Technical Textiles College of Textiles&ClothingShandong Engineering Research Center for Specialty Nonwoven MaterialsQingdao UniversityQingdao 266071ShandongChina Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China

Cathode materials that possess high output voltage,as well as those that can be mass-produced using facile techniques,are crucial for the advancement of aqueous zinc-ion battery(ZIBs)applications,Herein,we present for the first time a new porous K_(0.5)VOPO_(4)·1.5H_(2)O polyanionic cathode(P-KIVP)with high output voltage(above 1.2 V)that can be manufactured at room temperature using straightforward coprecipitation and etching techniques.The P-KVP cathode experiences anisotropic crystal plane expansion via a sequential solid-solution intercalation and phase co nversion pathway throughout the Zn^(2+)storage process,as confirmed by in-situ synchrotron X-ray diffraction and ex-situ X-ray photoelectron spectroscopy.Similar to other layered vanadium-based polyanionic materials,the P-KVP cathode experiences a progressive decline in voltage during the cycle,which is demonstrated to be caused by the irreversible conversion into amorphous VO_(x).By introducing a new electrolyte containing Zn(OTF)_(2) to a mixed triethyl phosphate and water solution,it is possible to impede this irreversible conversion and obtain a high output voltage and longer cycle life by forming a P-rich cathode electrolyte interface layer.As a proof-of-concept,the flexible fiber-shaped ZIBs based on modified electrolyte woven into a fabric watch band can power an electronic watch,highlighting the application potential of P-KVP cathode.

关键词： Aqueous zinc ion battery Cathode Porous material High voltage platform In-situ synchrotron X-ray diffraction

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Construction of a Cu@hollow TS-1 nanoreactor based on a hierarchical full-spectrum solar light utilization strategy for photothermal synergistic artificial photosynthesis

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Carbon Energy 2024年第2期6卷 25-36页

作者： Sixian Zhu Qiao Zhao Hongxia Guo Li Liu Xiao Wang Xiwei Qi Xianguang Meng Wenquan Cui Hebei Key Laboratory for Environment Photocatalytic and Electrocatalytic materials College of Chemical EngineeringNorth China University of Science and TechnologyTangshanChina School of materials Science and Engineering National Institute for Advanced MaterialsTKL of Metal and Molecule-Based Material ChemistryNankai UniversityTianjinChina Hebei Iron and Steel Laboratory TangshanChina

The artificial photosynthesis technology has been recognized as a promising solution for CO_(2) utilization.Photothermal catalysis has been proposed as a novel strategy to promote the efficiency of artificial photosynthesis by coupling both photochemistry and thermochemistry.However,strategies for maximizing the use of solar spectra with different frequencies in photothermal catalysis are urgently needed.Here,a hierarchical full-spectrum solar light utilization strategy is proposed.based on this strategy,a Cu@hollow titanium silicalite-1 zeolite(TS-1)nanoreactor with spatially separated photo/thermal catalytic sites is designed to realize high-efficiency photothermal catalytic artificial photosynthesis.The space-time yield of alcohol products over the optimal catalyst reached 64.4μmol g−1 h−1,with the selectivity of CH3CH2OH of 69.5%.This rationally designed hierarchical utilization strategy for solar light can be summarized as follows:(1)high-energy ultraviolet light is utilized to drive the initial and difficult CO_(2) activation step on the TS-1 shell;(2)visible light can induce the localized surface plasmon resonance effect on plasmonic Cu to generate hot electrons for H2O dissociation and subsequent reaction steps;and(3)low-energy near-infrared light is converted into heat by the simulated greenhouse effect by cavities to accelerate the carrier dynamics.This work provides some scientific and experimental bases for research on novel,highly efficient photothermal catalysts for artificial photosynthesis.

关键词： artificial photosynthesis full spectrum nanoreactors photothermal catalysis

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Tendencies of alloyed engineering in BiOX-based photocatalysts:a state-of-the-art review

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Rare Metals 2024年第4期43卷 1488-1512页

作者： Yan-Dong Sun Chao Zeng Xue Zhang Zi-Qi Zhang Bo Yang Sheng-Qi Guo Tianjin Key Laboratory of Clean Energy and Pollutant Control School of Energy and Environmental EngineeringHebei University of Technology State-Province Joint Engineering Laboratory of Zeolite Membrane materials Institute of Advanced MaterialsCollege of Chemistry and Chemical EngineeringJiangxi Normal University Anhui Province Key Laboratory of Pollutant Sensitive materials and Environmental Remediation School of Physics and Electronic InformationAnhui Province Industrial Generic Technology Research Center for Alumics MaterialsHuaibei Normal University

Energy-saving and environmentally friendly photocatalysis has emerged as a popular research area in response to issues with energy scarcity and environmental degradation.Due to the unique layer-like structure,BiOX（Cl,Br,I） is frequently used in photocatalysis.However,inherent flaws in BiOX,such as an inappropriate band gap and low carrier separation efficiency,restrict its capacity for photocatalysis.Owing to the tunable grouping layer,alloying engineering is employed to optimize the intrinsic properties of BiOX and alloyed BiOX becomes a promising photocatalytic material.This review describes the structure of BiOX,where tunable halogen layers provide favorable conditions for the implementation of alloying engineering to improve intrinsic properties.The article compares the effects and mechanisms of alloying engineering on the optimization of the energy band structure and carrier behavior of BiOX,and lists various modification methods used to improve the optimization of the intrinsic properties by alloying engineering,including defect engineering,morphology control as well as the synergy between alloying and other modification methods（bismuth-rich strategies,cation doping,construction of heterojunctions and plasma resonance effects）.Subsequently,applications of alloyed BiOX in energy and environmental fields are summarized,including contaminant degradation,antibacterial,CO2reduction,nitrogen fixation and organic synthesis.Finally,we summarize the current challenges and future directions of alloyed BiOX.It is expected that this work will provide guidance and assistance for an in-depth study and understanding of the mechanisms of alloying engineering to optimize intrinsic properties and design alloyed BiOX with higher photocatalytic activity.

关键词： Bismuth oxyhalide Photocatalytic Alloyed engineering Microstructural regulation Application

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Composite structure Al_(2)O_(3)/Al_(2)O_(3)-YAG:Ce/YAG ceramics with high color spatial uniformity for white laser lighting

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Journal of advanced Ceramics 2024年第2期13卷 189-197页

作者： Pengfei Sang Le Zhang Jian Kang Mingzhou Li Shiwei Chen Peng Yang Bingheng Sun Yang Li Wieslaw Strek Hao Chen Jiangsu Key Laboratory of advanced Laser materials and Devices School of Physics and Electronics EngineeringJiangsu Normal UniversityXuzhou 221116China Jiangsu Xiyi advanced materials research institute of industrial Technology Xuzhou 221400China Xuzhou EAGLED Technology Co. Ltd.Xuzhou 221116China Xuzhou Kangna advanced materials Technology Co. Ltd.Xuzhou 221116China Xuzhou Fuchang Electronic Technology Co. Ltd.Xuzhou 221116China Shanghai institute of Optics Fine Mechanics Chinese Academy of SciencesShanghai 201800China School of Material Science and Engineering Shanghai Institute of TechnologyShanghai 201418China State Key Laboratory of Crystal materials Shandong UniversityJinan 250100China institute of Low Temperature and Structure research Polish Academy of SciencesWroclaw 50-422Poland

Composite ceramic phosphor(CCP)is a candidate light-conversion material to obtain the high-quality laser lighting source.Phosphors based on the transmissive configuration model could not simultaneously meet the requirements of angular color uniformity and high thermal stability.In this study,a novel composite structure ceramic was designed,including Al_(2)O_(3)-YAG:Ce/YAG layered ceramic with a size of 1 mm×1 mm for lighting,and Al_(2)O_(3) ceramic(φ=16.0 mm)was used as the wrapping material due to its outstanding thermal stability.The prepared ceramics exhibited excellent thermal performance and no yellow ring phenomenon.Through this design,we achieved the match of the intensity distribution of the blue and yellow lights,resulting in a high angular color uniformity of 0.9 with a view angle of±80°.All ceramics showed no luminous saturation phenomenon,even the laser power density was increased up to 47.51 W/mm^(2).A high-brightness white-light source with a luminous flux of 618 lm,a luminous efficiency of 126 lm/W,a CCT of 6615 K,and a CRI of 69.9 was obtained in the transmissive configuration.In particular,the surface temperature of the ceramic was as low as 74.1℃ under a high laser radiation(47.51 W/mm^(2)).These results indicate that Al_(2)O_(3)/Al_(2)O_(3)-YAG:Ce/YAG composite structure ceramic is a promising luminescent material in the high-power laser lighting applications.

关键词： Al_(2)O_(3)/Al_(2)O_(3)-YAG:Ce/YAG angular color uniformity high thermal stability high-power laser lighting

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High-tenacity in-situ Ti/Zr-based bulk metallic glasses composites fabricated by industrial high-pressure die casting

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Journal of materials Science & Technology 2024年第3期170卷 177-185页

作者： Yang Li Wenbo Luo Ying Jin Zhiyong Xue Guiqing Wang Yanan Ren Haoxin Li Haibo Ke Baoan Sun Weihua Wang institute for advanced materials North China Electric Power UniversityBeijing 102206China Songshan Lake materials Laboratory Dongguan 523808China institute of Physics Chinese Academy of SciencesBeijing 100190China

The glass-forming ability and mechanical properties of metallic glasses and their composites are well known to be sensitive to the preparation conditions and are highly deteriorated by industrial preparing conditions such as low-purity raw materials and low vacuum.Here,we showed that a series of in-situ bulk metallic glass composites(BMGCs)which exhibit excellent ductility and segmental work hardening were successfully developed utilizing a high vacuum high-pressure die casting(HV-HPDC)technology along with industrial-grade raw materials.The tensile properties of these BMGCs are systematically investigated and correlated with the alloy microstructure.As compared with the copper mold suction casting method,the volume fraction difference of the dendrite phase for the BMGCs with the same composition is not significant when fabricated by the HV-HPDC,whereas the size of theβ-phase is generally larger.Insitu BMGCs with the composition of Ti_(48)Zr_(20)(V_(12/17)Cu_(5/17))19 Be 13 obtained by the HV-HPDC process show ductility up to 11.3%under tension at room temperature and exhibit a certain amount of work hardening.Two conditions need to be met to enable the BMGCs,which are prepared by vacuum die-casting to retain favorable ductility:(1)The volume fraction ofβphase stays below 62%±2%;(2)The equiaxed crystals with a more uniform size in the range of 5-10μm.Meanwhile,the results of the present study provided guidance for developing BMGCs with good ductile properties under industrial conditions.

关键词： Vacuum die casting Bulk metallic glass composites Mechanical properties β-phase

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Layer-by-layer fabrication of montmorillonite coating immobilizing Cu_(2)O nanoparticles for continuously catalyzing glycerol to dihydroxyacetone

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Chinese Journal of Chemical Engineering 2024年第4期68卷 263-275页

作者： Kejin Li Jiahui Liu Dajian Li Xiaolan Chen Chunhui Zhou research Group for advanced materials&Sustainable Catalysis(AMSC) State Key Laboratory Breeding Base of Green Chemistry-Synthesis TechnologyCollege of Chemical EngineeringZhejiang University of TechnologyHangzhou 310032China Qing Yang institute for industrial Minerals Qingyang 242804China Engineering research Center of Non-metallic Minerals of Zhejiang Province Zhejiang Institute of Geology and Mineral ResourcesHangzhou 310007China

Microreactors are increasingly used for green and safe chemical processes owing to their benefits of superior mass and heat transfer,increased yield,safety,and simplicity of control.However,immobilizing catalysts in microreactors remains challenging.In this investigation,a technique for creating Cu_(2)O/montmorillonite catalyst coating,using electrostatic attraction for layer-by-layer self-assembly,was proposed.The montmorillonite film's morphology and thickness could be efficiently regulated by adjusting the degree of exfoliation and surface charge of montmorillonite,alongside layer-by-layer coating times.The Cu_(2)O nanoparticles were immobilized using the flow deposition approach.The resulting Cu_(2)O@montmorillonite-film-coated capillary microreactor successfully transformed glycerol into dihydroxyacetone.The conversion of glycerol and product selectivity could be controlled by adjusting the molar ratio of reactants,temperature,residence time,and Cu_(2)O loading.The maximum glycerol conversion observed was 47.6%,with a 27%selectivity toward dihydroxyacetone.The study presents a technique for immobilizing montmorillonite-based catalyst coatings in capillary tubing,which can serve as a foundation for the future application of microreactors in glycerol conversion.

关键词： Microreactor Coating Montmorillonite Glycerol Cu_(2)O

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Combined effect of WS2 and Ti3C2Tx MXene favors oil-based ultra-low friction on rough steel-steel interface at elevated temperatures

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Science China Technological Sciences 2024年第7期67卷 1991-2002页

作者： LIU YangQin CHEN Lei WANG Yang QIAN LinMao Tribology research institute State Key Laboratory of Rail Transit Vehicle System School of Mechanical EngineeringSouthwest Jiaotong University Key Laboratory of advanced Technologies of materials (Ministry of Education) Research Institute of Frontier ScienceSouthwest Jiaotong University

The lubrication performance of liquids is severely restricted and is degraded in high-temperature environments. Stable and reliable lubrication in high temperature environments has been a long-standing goal in various industrial fields. In this study,WS2and Ti3C2TxMXene nanoflakes were used as oil-based lubricant additives to generate ultra-low friction and even superlubricity（friction coefficient of ～0.007） at elevated temperatures（400°C）, which has hitherto not been achieved by both individual pristine materials, WS2and Ti3C2TxMXene. Viscosity and thermogravimetric characterization revealed improvements in the high-temperature rheological properties and thermal stability of the lubricating base oil, indicating improved loadbearing and continuous lubrication capabilities at elevated temperatures. X-ray photoelectron spectroscopy, transmission electron microscopy, and atomic force microscopy demonstrated that the formation of an iron/titanium/tungsten-rich oxide lubricious thin film at the sliding interface reduced the interfacial shear stress, which was responsible for the observed friction and wear reductions at high contact pressures（> 1.1 GPa）. Although the titanium/tungsten oxide film was gradually removed after prolonged sliding, a sufficiently thick iron oxide film maintained a low friction coefficient for at least 2 h. The improved surface quality facilitates the achievement of ultra-low friction and reduced wear. The proposed lubrication methodology has a broad utilization potential as a wear-reduction strategy across various industrial fields at elevated temperatures.

关键词： ultra-low friction high-temperature wear reduction lubricating additive tungsten disulfide MXene

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