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Nanostructured ZnO/BiVO_(4)I-scheme heterojunctions for piezocatalytic degradation of organic dyes via harvesting ultrasonic vibration energy

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 488-497页

作者： Yiling Li Xiaoyao Yu Yingjie Zhou Yao Lin Ying wu Key Laboratory of the Ministry of Education for Advanced Catalysis Materials College of Chemistry and Materials ScienceZhejiang Normal UniversityJinhua 321004China

BiVO_(4)porous spheres modified by ZnO were designed and synthesized using a facile two-step *** resulting ZnO/BiVO_(4)composite catalysts have shown remarkable efficiency as piezoelectric catalysts for degrading Rhodamine B(RhB)unde mechanical vibrations,they exhibit superior activity compared to pure *** 40wt%ZnO/BiVO_(4)heterojunction composite displayed the highest activity,along with good stability and *** enhanced piezoelectric catalytic activity can be attributed to the form ation of an I-scheme heterojunction structure,which can effectively inhibit the electron-hole ***,hole(h+)and superoxide radical(·O_(2)^(-))are proved to be the primary active ***,ZnO/BiVO_(4)stands as an efficient and stable piezoelectric catalyst with broad potential application in the field of environmental water pollution treatment.

关键词： piezoelectric catalytic heterojunction dye degradation ultrasonic vibration

A new horizon for neuroscience:terahertz biotechnology in brain research

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Neural Regeneration Research 2025年第2期20卷 309-325页

作者： Zhengping Pu Yu wu Zhongjie Zhu Hongwei Zhao Donghong Cui Shanghai Key Laboratory of Psychotic Disorders Shanghai Mental Health CenterShanghai Jiao Tong University School of MedicineShanghaiChina Department of Psychiatry Kangci Hospital of JiaxingTongxiangZhejiang ProvinceChina Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghaiChina Key Laboratory of Interfacial Physics and Technology Shanghai Institute of Applied PhysicsChinese Academy of ScienceShanghaiChina National Facility for Protein Science in Shanghai Shanghai Advanced Research InstituteChinese Academy of SciencesShanghaiChina

Terahertz biotechnology has been increasingly applied in various biomedical fields and has especially shown great potential for application in brain *** this article,we review the development of terahertz biotechnology and its applications in the field of *** evidence indicates promising prospects for the use of terahertz spectroscopy and terahertz imaging techniques in the diagnosis of amyloid disease,cerebrovascular disease,glioma,psychiatric disease,traumatic brain injury,and myelin *** vitro and animal experiments have also demonstrated the potential therapeutic value of terahertz technology in some neuropsychiatric *** the precise underlying mechanism of the interactions between terahertz electromagnetic waves and the biosystem is not yet fully understood,the research progress in this field shows great potential for biomedical noninvasive diagnostic and therapeutic ***,the biosafety of terahertz radiation requires further exploration regarding its two-sided efficacy in practical *** review demonstrates that terahertz biotechnology has the potential to be a promising method in the field of neuropsychiatry based on its unique advantages.

关键词： biological effect brain neuron neuropsychiatry neuroscience non-thermal effect terahertz imaging terahertz radiation terahertz spectroscopy terahertz technology

New adaptive time step symplectic integrator:an application to the elliptic restricted three-body problem

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Research in Astronomy and Astrophysics 2014年第10期14卷 1329-1342页

作者： Xiao-Ting ni Xin wu Department of Physics Nanchang University

The time-transformed leapfrog scheme of Mikkola ＆ Aarseth was specifi- cally designed for a second-order differential equation with two individually separable forms of positions and velocities. It can have good numerical accuracy for extremely close two-body encounters in gravitating few-body systems with large mass ratios, but the non-time-transformed one does not work well. Following this idea, we develop a new explicit symplectic integrator with an adaptive time step that can be applied to a time-dependent Hamiltonian. Our method relies on a time step function having two distinct but equivalent forms and on the inclusion of two pairs of new canonical con- jugate variables in the extended phase space. In addition, the Hamiltonian must be modified to be a new time-transformed Hamiltonian with three integrable parts. When this method is applied to the elliptic restricted three-body problem, its numerical pre- cision is explicitly higher by several orders of magnitude than the nonadaptive one＇s, and its numerical stability is also better. In particular, it can eliminate the overestima- tion of Lyapunov exponents and suppress the spurious rapid growth of fast Lyapunov indicators for high-eccentricity orbits of a massless third body. The present technique will be useful for conservative systems including N-body problems in the Jacobian coordinates in the the field of solar system dynamics, and nonconservative systems such as a time-dependent barred galaxy model in a rotating coordinate system.

关键词： celestial mechanics -- methods numerical -- planetary systems --chaos

Misfit St rain-induced Buckling for Transition-Me tai Dichalcogenide Lateral Heterostructures:A Molecular Dynamics Study

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Acta Mechanica Solida Sinica 2019年第1期32卷 17-28页

作者： jin-wu Jiang Shanghai Key Laboratory of Mechanics in Energy Engineering Shanghai Institute of Applied Mathematics and MechanicsShanghai UniversityShanghai 200072China

Molecular dynamics simulations are performed to investigate the misfit straininduced buckling of the transition-metai dichalcogenide(TMD)lateral heterostructures,denoted by the seamless epitaxial growth of different TMDs along the in-plane *** Stillinger-Weber potential is utilized to describe both the interaction for each TMD and the coupling between different TMDs,i.e.,MX2(with M=Mo,W and X=S,Se,Te).It is found that the misfit strain can induce strong buckling of the freestanding TMD lateral heterostructures of large area,resulting from the TMDs'atomic-thick *** buckling phenomenon occurs in a variety of TMD lateral heterostructures of different compositions and in various *** findings raise a fundamental mechanical challenge for the structural stability of the freestanding TMD lateral heterostructures.

关键词： Transition-metal dichalcogenide Lateral heterostructure Stillinger-Weber potential Molecular dynamics simulation

An empirical description for the hinge-like mechanism in single-layer black phosphorus:The angle–angle cross interaction

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Acta Mechanica Solida Sinica 2017年第3期30卷 227-233页

作者： jin-wu Jiang Shanghai Institute of Applied Mathematics and Mechanics Shanghai Key Laboratory of Mechanics in Energy Engineering Shanghai University Shanghai 200072 China

The single-layer black phosphorus is characterized by its puckered configuration that pos- sesses the hinge-like behavior, which leads to the highly anisotropic in-plane Poisson＇s ratios and the negative out-of-plane Poisson＇s ratio. We demonstrate that the hinge-like mechanism can be described by the angle-angle cross interaction, which, combined with the bond stretching and angle bending interactions, is able to provide a good description for the mechanical properties of single-layer black phosphorus. We also propose a nonlinear angle-angle cross interaction, which follows the form of Stillinger-Weber potential and can be advantageous for molecular dynamics simulations of single-layer black phosphorus under large deformation.

关键词： Black phosphorus Stillinger-Weber potential Hinge-like mechanism Molecular dynamics simulation Mechanical properties

五边形石墨烯双层电子性能及磁性调控的第一性原理研究

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原子与分子物理学报 2025年第5期42卷 67-71页

作者：吴旌贺丁雅妮郭梦雨陈卫光王美娟史金磊河南财政金融学院创新创业学院郑州450046 郑州师范学院物理与电子工程学院郑州市低维纳米材料重点实验室郑州450044

基于密度泛函理论的第一性原理计算方法,我们研究了五边形石墨烯双层结构表面氢氟化对其电子结构及磁性的调控.计算结果表明,氢氟化的五边形石墨烯双层可以在价带顶和导带底出现自旋极化态,从而诱导出磁性且有效降低带隙.基于这一特性,... 详细信息

基于密度泛函理论的第一性原理计算方法,我们研究了五边形石墨烯双层结构表面氢氟化对其电子结构及磁性的调控.计算结果表明,氢氟化的五边形石墨烯双层可以在价带顶和导带底出现自旋极化态,从而诱导出磁性且有效降低带隙.基于这一特性,我们进一步发现通过调控氢氟化覆盖度能够有效调节体系带隙及磁矩,并且随着覆盖度增加实现了五边形石墨烯双层从半导体-金属-半导体的转变.

关键词：五边形石墨烯双层电子结构和磁性调控第一性原理计算

Study on friction performance and mechanism of slipper pair under different paired materials in high-pressure axial piston pump

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Friction 2020年第5期8卷 957-969页

作者： Huaichao wu Limei ZHAO Siliang ni Yongyong HE School of Mechanical Engineering Guizhou UniversityGuiyang 550025China State Key Laboratory of Tribology Tsinghua UniversityBeijing 100084China

High-pressure axial piston pumps operate in high-speed and high-pressure environments. The contact state of the slipper against the swashplate can easily change from an oil film lubrication to a mixed oil film/asperity contact, or even dry friction. To improve the dry friction performance of slipper pairs and to avoid their potentially rapid failure, this study examined the effects of material matching on the dry friction performance of the slipper pair for high-pressure axial piston pumps. A FAIAX6 friction and wear tester was developed, and the dry friction coefficients of the slipper pairs matched with different materials were studied using this tester. Based on the thermo-mechanical coupling of the slipper pair with the working process, the contact surface temperatures of the slipper pairs matched with different materials were calculated and analyzed for the same working conditions. Following this, the effects of the material properties on the temperature increase at the slipper sliding contact surfaces were revealed. The reliabilities of the temperature calculations and analysis results were verified through orthogonal tests of slipper pairs matched with different materials. The results indicate that the influence of the material density on the friction coefficient is greater than that of the Poisson's ratio or the elastic modulus, and that the slipper material chosen should have a high thermal conductivity, low density, and low specific heat, whereas the swashplate material should be high in specific heat, density, and thermal conductivity;in addition, the slipper pair should be a type of hard material to match the type of soft material applied;that is, the hardness of the swashplate material should be greater than that of the slipper material.

关键词： axial piston pump slipper pair material matching dry friction temperature

Superhydrophobic and corrosion-resistant siloxane-modified MgAl-LDHs coatings on magnesium alloy prepared under mild conditions

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 450-463页

作者： Wenxi Zhang Zhangzelong Zhuo Dan Xu Liang wu Zhihui Xie Chemical Synthesis and Pollution Control Key Laboratory of Sichuan Province College of Chemistry and Chemical EngineeringChina West Normal UniversityNanchong 637002China College of Materials Science and Engineering/National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China

We have developed a superhydrophobic and corrosion-resistant LDH-W/PFDTMS composite coating on the surface of Mg *** composite comprised a tungstate-intercalated(LDH-W)underlayer that was grown at low temperature(relative to hydrothermal reaction conditions)under atmospheric pressure and an outer polysiloxane layer created from a solution containing perfluorodecyltrimethoxysilane(PFDTMS)using a simple immersion *** successful intercalation of tungstate into the LDH phase and the following formation of the polysiloxane layer were confirmed through X-ray diffraction(XRD),Fourier transform infrared(FTIR)spectroscopy,and X-ray photoelectron spectroscopy(XPS).The corrosion resistance of the LDH-W film,both before and after the PFDTMS modification,was evaluated using electrochemical impedance spectroscopy(EIS),Tafel curves,and immersion *** results showed that Mg coated with LDH-W/PFDTMS exhibited significantly enhanced corrosion protection compared to the unmodified LDHW film,with no apparent signs of corrosion after exposure to 3.5wt%NaCl solution for 15 ***,the LDH-W/PFDTMS coating demonstrated superior superhydrophobicity and self-cleaning properties against water and several common beverages,as confirmed by static contact angle and water-repellency *** results offer valuable insights into preparing superhydrophobic and corrosion-resistant LDH-based composite coatings on Mg alloy surfaces under relatively mild reaction conditions.

关键词： Mg alloy corrosion coating layered double hydroxide

Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3- integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst

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Journal of Energy Chemistry 2025年第1期100卷 273-285页

作者： Tianhang Zhou Chen Shen Zhenghao wu Xingying Lan Yi Xiao College of Carbon Neutrality Future Technology State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) Institute of Materials Science TU Darmstadt Department of Chemistry Xi'an Jiaotong-Liverpool University Department of Mechanical and Mechatronics Engineering and Waterloo Institute of Nanotechnology University of Waterloo Waterloo

Dual atomic catalysts （DAC）,particularly copper （Cu2）-based nitrogen （N） doped graphene,show great potential to effectively convert CO2and nitrate （NO3-） into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N ***,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO2reduction reaction （CO2RR）.To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu2-based N-doped carbon (Cu2N6C10) catalyst for *** calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction *** to the sluggishness of CO2,the formation of a solvation electric layer by anions （F-,Cl-,Br-,and I-） and cations (Na+,Mg2+,K+,and Ca2+) leads to electron transfer towards the Cu *** process significantly accelerates the reduction of *** results reveal that*CO intermediates play a pivotal role in N-integrated ***,the Cu2-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to *** findings reveal that through the process of a condensation reaction between*CO and NH2OH for urea synthesis,*NO3-is reduced to*NH3,and*CO2to*CCO at dual Cu atom *** dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH3and the ketene ***,we found that the I-and Mg2+ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca2+were ***,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shift

关键词： pH-dependent micro-environments C–N coupling Dual Cu-based nitrogen carbon catalysts Explicit solvation model Ion stabilizer AIMD