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SSRN 2024年

作者： Quan, Hao Li, Li Shi, Lan-Ting Ma, Jiang-Jiang Qiu, Rui-Zhi Li, Wei-Dong Li, Shi-Na Wang, Bao-Tian Institute of Theoretical Physics State Key Laboratory of Quantum Optics and Quantum Optics Devices Collaborative Innovation Center of Extreme Optics Shanxi University Taiyuan030006 China Institute of High Energy Physics Chinese Academy of Sciences Beijing100049 China Spallation Neutron Source Science Center Dongguan523803 China School of Physics and Information Engineering Shanxi Normal University Taiyuan030031 China Science and Technology on Surface Physics and Chemistry Laboratory Mianyang621908 China Shenzhen Key Laboratory of Ultra-intense Laser and Advanced Material Technology Center for Advanced Material Diagnostic Technology College of Engineering Physics Shenzhen Technology University Shenzhen518118 China Guangdong Provincial Key Laboratory of Quantum Science and Engineering Southern University of Science and Technology Shenzhen518055 China

Theoretically and experimentally, UPt3 has aroused extreme interest due to its exotic properties of heavy fermion superconductivity and spin-fluctuation phenomena. Here, the local density approximation +U (LDA+U) simulations are performed on a heavy fermion superconductor UPt3 to examine its structural, electronic, magnetic, mechanical, and thermodynamic characteristics. By setting the Hubbard U parameter around 2 eV, the calculated lattice parameters agree well with the previous experimental results. The single-crystal elastic constants (Cij) and the polycrystalline elastic moduli (B, G, and E) are reported in detail. The anisotropy is revealed through the anisotropy parameters and the three-dimensional surface architectures of the Young’s modulus and linear compressibility coefficients. The results show that both ferromagnetic (FM) and antiferromagnetic (AFM) states are mechanically stable. Our calculated phonon spectra demonstrate that both FM and AFM configurations are dynamically stable. The thermodynamic properties of UPt3 for different magnetic states are estimated by the quasi-harmonic approximation (QHA), including free energy, specific heat, entropy, and thermal expansion coefficient. The obtained physical parameters can provide meaningful data for further experimental investigations. © 2024, The Authors. All rights reserved.

关键词： Binary alloys

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Ferroelectric tuning of the valley polarized metal-semiconductor transition in Mn2P2S3Se3/Sc2CO2 van der Waals heterostructures and application to nonlinear Hall effect devices

arXiv

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arXiv 2024年

作者： Sun, Hanbo Ren, Yewei Wu, Chao Dong, Pengqiang Zhang, Weixi Wu, Yin-Zhong Li, Ping State Key Laboratory for Mechanical Behavior of Materials School of Materials Science and Engineering Xi’an Jiaotong University Shaanxi Xi’an710049 China Department of Physics and Electronic Engineering Tongren University Tongren554300 China School of Physical Science and Technology Suzhou University of Science and Technology Suzhou215009 China State Key Laboratory for Surface Physics Department of Physics Fudan University Shanghai200433 China State Key Laboratory of Silicon and Advanced Semiconductor Materials Zhejiang University Hangzhou310027 China

In order to promote the development of the next generation of nano-spintronic devices, it is of great significance to tune the freedom of valley in two-dimensional (2D) materials. Here, we propose a mechanism for manipulating the valley and nonlinear Hall effect by the 2D ferroelectric substrate. The monolayer Mn2P2S3Se3 is a robust antiferromagnetic valley polarized semiconductor. Importantly, the valley polarized metal-semiconductor phase transition of Mn2P2S3Se3 can be effectively tuned by switching the ferroelectric polarization of Sc2CO2. We reveal the microscopic mechanism of phase transition, which origins from the charge transfer and band alignment. Additionally, we find that transformed polarization direction of Sc2CO2 flexibly manipulate the Berry curvature dipole. Based on this discovery, we present the detection valley polarized metal-semiconductor transition by the nonlinear Hall effect devices. These findings not only offer a scheme to tune the valley degree of freedom, but also provide promising platform to design the nonlinear Hall effect devices. © 2024, CC BY.

关键词： Van der Waals forces

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Improved perovskite solar cell efficiency by tuning the colloidal size and free ion concentration in precursor solution using formic acid additive

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Journal of Energy Chemistry 2020年第2期29卷 43-51页

作者： Lina Meng Qingbo Wei Zhou Yang Dong Yang Jiangshan Feng Xiaodong Ren Yucheng Liu Shengzhong(Frank)Liu Key Laboratory of Applied Surface and Colloid Chemistry Ministry of EducationShaanxi Key Laboratory for Advanced Energy DevicesShaanxi Engineering Lab for Advanced Energy TechnologyInstitute for Advanced Energy MaterialsSchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an 710119ShaanxiChina Key Laboratory of Chemical Reaction Engineering of Shaanxi Province College of Chemistry and Chemical EngineeringYan'an UniversityYan'an 716000ShaanxiChina iChEM Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina

Improving the quality of the perovskite active layer is crucial to obtaining high performance perovskite solar cells(PSCs). In this work, by introducing formic acid into the formamidinium lead iodide(FAPbI3)precursor solution, we managed to achieve reduced colloidal size in the solution, leading to more uniform deposition of FAPbI3 film with lower trap state density and higher carrier mobility. The solar cells based on the FAPbI3 absorber layer modified with formic acid show significantly better photovoltaic performance than that on the reference FAPbI3 film without formic acid. The device performance shows a close correlation with the colloidal size. Within the range studied from 6.7 to 1.0 nm, the smaller the colloidal size is, the higher the solar cell efficiency. More specifically, the cell efficiency is improved from17.82% for the control cell without formic acid to 19.81% when 0.764 M formic acid was used. Formic acid has also been added into a CH3NH3PbI3(MAPbI3) precursor solution, which exhibits a similar effect on the resulting MAPb I3 films and solar cells, with efficiency improved from 16.07% to 17.00%.

关键词： Perovskite solar cell Crystallization Formic acid Additive

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Effect of compound surface modification of shot peening and DLC coating on surface integrity and fatigue properties of gear steel 16Cr3NiWMoVNbE

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Heliyon 2024年第18期10卷 e37991页

作者： Yu, Bo Xu, Chunling Gao, Kaixiong Yang, Wenming Wang, Xin Sun, Zhongwu Zhang, Bin Tang, Zhihui Surface Engineering Institution AECC Beijing Institute of Aeronautical Materials Beijing 100095 China Aviation Key Laboratory of Advanced Corrosion and Protection on Aviation Materials AECC Beijing Institute of Aeronautical Materials Beijing 100095 China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences Lanzhou China School of Mechanical Engineering University of Science and Technology Beijing 100083 China School of Material Science and Engineering Nanchang Hangkong University Nanchang 330063 China Process Technology Center AECC Harbin Dongan Aero-engine Co. Ltd Harbin 150066 China

We conducted a study on the surface compound modification of shot peening and pure carbon DLC coating to simultaneously meet the requirements of wear resistance and fatigue resistance of spline structure. The effects of surface compound modification were investigated on the surface morphology, residual stress profile, microstructure, and nano-indentation hardness of 16Cr3NiWMovNbE gear steel, and conducted a comparative study on fatigue performance. The results show that the surface compound modification inherits the surface morphology and compressive residual stress gradient of shot peening, while the surface residual stress is slightly smaller than that of shot peening. In addition, surface compound modification still reflects the characteristics of high hardness and high fracture resistance of DLC coatings. Under the bending load based on spline tooth root, compared to the original specimen, the fatigue life after shot peening, pure carbon DLC coating, and surface compound modification is increased by 3.68, 2.35, and 3.36 respectively. Although the compound modified surface still maintains the shot peening morphology with a increasing surface roughness and stress concentration coefficient, the 100 μm-depth compressive residual stress profile and the subgrain refinement layer introduced, as well as the hard surface layer with good load-bearing capacity, have played the role of fatigue strengthening. © 2024

关键词： DLC gradient coating Fatigue hot peening surface integrity

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Evaluation on elevated-temperature stability of modified 718-type alloys with varied phase configurations

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International Journal of Minerals,Metallurgy and Materials 2020年第8期27卷 1123-1132页

作者： Zhan Qiao Chong Li Hong-jun Zhang Hong-yan Liang Yong-chang Liu Yong Zhang State Key Lab of Hydraulic Engineering Simulation and Safety School of Materials Science&EngineeringTianjin UniversityTianjin 300354China Key Laboratory of the Ministry of Education for Modern Metallurgy Technology North China University of Science and TechnologyTangshan 063210China Science and Technology on Advanced High Temperature Structural Materials Laboratory AEEC Beijing Institute of Aeronautical MaterialsBeijing 100095China

Inconel 718 is a Ni–Fe-based superalloy widely used in aerospace engines because of its excellent mechanical ***,the inferior stability of theγ″phase limits the application of Inconel 718,which coarsens rapidly at temperatures greater than 650°*** improving the temperature tolerance of Inconel 718 requires optimization of the phase configuration via modification of the alloy’s chemical *** the aforementioned objective,this work was conducted to study the precipitation behavior and thermal stability of the strengthening phases with various structures in modified Inconel 718 alloys by tailoring the Al/Ti *** increasing Al/Ti ratio,three particle configurations were formed:γ′/γ″composite,isolatedγ′,andγ′/γ″/γ′composite *** results of aging tests demonstrate that the isolatedγ′and theγ′/γ″/γ′composite structure exhibited better thermal stability at temperature as high as 800°*** isolatedγ′exhibited a reduced coarsening rate compared with theγ′/γ″/γ′composite particles because the isolatedγ′phase was rich in Al,Ti,and ***,theγ′/γ″composite particles coarsened and decomposed rapidly during aging at temperatures greater than 700°C because of the lower stability resulting from the larger number ofγ″*** obtained results provide necessary data for the compositional optimization of novel 718-type alloys.

关键词： Inconel 718 structure thermal stability interface

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Significant Improvement in Tensile Shear Properties of Friction Stir Lap Welded Nano Tib2/2024 Al Composite Joints Via a Novel Tool Pin Geometry Design

SSRN

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SSRN 2024年

作者： Chen, Shuai Niu, Pengliang Fu, Xurong Li, Yongbing Ke, Liming Huang, Yongxian School of Aeronautical Manufacturing Engineering Nanchang Hangkong University Jiangxi Nanchang330063 China State Key Laboratory of Advanced Welding and Joining Harbin Institute of Technology Harbin15000 1 China COMAC Shanghai Aircraft Manufacturing Co. Ltd. Shanghai200436 China Shanghai Key Laboratory of Digital Manufacture for Thin-walled Structures China

A novel designed tool pin with two shoulders and pins (stepped pin, S-pin) was performed to fabricate the friction stir lap welded nano TiB2/2024 Al composite joints for the interface migration optimization and tensile shear strength improvement purposes. Compared with the conventional tapered pin (T-pin) joints, broken and dispersedly distributed hook, significantly restrained cold lap were observed in the S-pin joints. Submicron or hundreds of nanometers grains were detected in the stir zone (SZ), which should be attributed to the existence of nano TiB2 hindering the movement of grain boundaries and limiting the growth of recrystallized grains. A wedge shaped microhardness distributions of the S-pin joints were found, which would be better for the joint bearing capacity. Tensile shear loads of the S-pin joints were much higher than those of the T-pin joints. The optimal average tensile shear strength, 7.3 KN or 484 N/mm, were obtained when the S-pin was performed, dominantly fracturing in the heat affected zone (HAZ) rather than the SZ. © 2024, The Authors. All rights reserved.

关键词： Microstructural evolution

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surface Doping *** Doping of Cathode Materials for Lithium-Ion Batteries:A Review

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Electrochemical Energy Reviews 2022年第4期5卷 254-285页

作者： Huaming Qian Haoqi Ren Ying Zhang Xianfeng He Wenbin Li Jingjing Wang Junhua Hu Hong Yang Hirbod Maleki Kheimeh Sari Yu Chen Xifei Li Xi’an Key Laboratory of New Energy Materials and Devices Institute of Advanced Electrochemical Energy and School of Materials Science and EngineeringXi’an University of TechnologyXi’an 710048ShaanxiChina Shaanxi International Joint Research Center of Surface Technology for Energy Storage Materials Xi’an 710048ShaanxiChina Department of Mechanical and Materials Engineering University of Western OntarioLondonOntario N6A 5B9Canada State Center for International Cooperation On Designer Low‑Carbon and Environmental Materials(CDLCEM) Zhengzhou University100 Kexue AvenueZhengzhou 450001China Xi’an Safty Energy Technology Co. LtdXi’an 710005ShaanxiChina

To address the capacity degradation,voltage fading,structural instability and adverse interface reactions in cathode materi-als of lithium-ion batteries(LIBs),numerous modification strategies have been developed,mainly including coating and *** particular,the important strategy of doping(surface doping and bulk doping)has been considered an effective strategy to modulate the crystal lattice structure of cathode ***,special insights into the mechanisms and effectiveness of the doping strategy,especially comparisons between surface doping and bulk doping in cathode materials,are still *** this review,recent significant progress in surface doping and bulk doping strategies is demonstrated in detail by focusing on their inherent differences as well as effects on the structural stability,lithium-ion(Li-ion)diffusion and electrochemical properties of cathode materials from the following mechanistic insights:preventing the exposure of reactive Ni on the surface,stabilizing the Li slabs,mitigating the migration of transition metal(TM)ions,alleviating unde-sired structural transformations and adverse interface issues,enlarging the Li interslab spacing,forming three-dimensional(3D)Li-ion diffusion channels,and providing more active sites for the charge-transfer ***,insights into the correlation between the mechanisms of hybrid surface engineering strategies(doping and coating)and their influences on the electrochemical performance of cathode materials are provided by emphasizing the stabilization of the Li slabs,the enhancement of the surface chemical stability,and the alleviation of TM ion ***,the existing challenges and future perspectives in this promising field are indicated.

关键词： Lithium-ion batteries Cathode materials surface doping Bulk doping Hybrid surface engineering Structural stability Lithium-ion diffusion

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advanced Nitrogen and Phosphorus Removal in Sulfur-Based Constructed Wetland Strengthened by Boron Oxide and Magnesium Oxide At Low Temperature: Performance and Domestication of Anammox

SSRN

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SSRN 2024年

作者： Su, Mengran Liang, Jing Meng, Fangang Zhang, Jian Li, Shuangbao Jiang, Hao Chen, Xinhan Jia, Qingliang Jiang, Hao Liu, Huaqing Institute of Yellow River Delta Earth Surface Processes and Ecological Integrity College of Safety and Environmental Engineering Shandong University of Science and Technology Qingdao China Weihai Bioclear Environmental Engineering Co. Ltd Weihai China Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology Sun Yat-sen University Guangzhou China Shandong University of Science and Technology China National Engineering Laboratory for Advanced Municipal Wastewater Treatment and Reuse Technology China

Innovative low-carbon nitrogen and phosphorus removal biotechnology development is urgent. This study established a sulfur autotrophic denitrification constructed wetland (SCW) to realize advanced NO3-N and PO43-P removal from tailwater of wastewater treatment plant. 1.0 ± 0.4 mg/L B3+ and 21.3 ± 3.4 mg/L Mg2+ released from sulfur-based filter material enhanced SCW performance at 11.4 ± 0.6℃ with 2.4 ± 0.3 mg/L NO3-N and 0.1 ± 0.1 mg/L PO43-P in the effluent. Long-term coexistence of NH4+-N and NO2-N led to in situ domestication of Anammox, which contributed to 10.3% nitrogen removal. Sulfur autotrophic denitrification, iron autotrophic denitrification driven by iron powder cooperated with plant assimilation to remove nitrogen and phosphorus. Abundance of typical functional bacteria Thiobacillus (sulfur autotrophic denitrification bacteria), Ferritrophicum (iron autotrophic denitrification bacteria), Brocadia (Anammox bacteria) and Achromobacter (plant endophytes) reached 38.9%, 13.6%, 2.9% and 51.0% respectively. These findings provided basis for application of SCW under seasonal temperature. © 2024, The Authors. All rights reserved.

关键词： Iron powder

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Mechanism understanding for stripping electrochemistry of Li metal anode

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SusMat 2021年第4期1卷 506-536页

作者： Feng-Ni Jiang Shi-Jie Yang He Liu Xin-Bing Cheng Lei Liu Rong Xiang Qiang Zhang Stefan Kaskel Jia-Qi Huang College of Chemistry and Chemical Engineering Taiyuan University of TechnologyTaiyuanShanxiP.R.China Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijingP.R.China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijingP.R.China Department of Mechanical Engineering University of TokyoTokyoJapan Department Chemical Surface and Reaction Technology Technische Universität DresdenDresdenGermany

The pursuit of sustainable energy has a great request for advanced energy stor-age *** metal batteries are regarded as a potential electrochemi-cal storage system because of the extremely high capacity and the most nega-tive electrochemical potential of lithium metal *** lithium formed in the stripping process significantly contributes to the low efficiency and short lifespan of rechargeable lithium metal *** review displays a critical review on the current research status about the stripping electrochemistry of lithium metal *** significance of stripping process to a robust lithium metal anode is *** stripping models in different electrochemical scenarios are *** attention is paid to the understanding for the electrochemical principles of atom diffusion,electrochemical reaction,ion dif-fusion in solid electrolyte interphase(SEI),and electron transfer with the pur-pose to strengthen the insights into the behavior of lithium electrode *** factors affecting stripping processes and corresponding solutions are sum-marized and categorized as follows:surface physics,SEI,operational and exter-nal *** review affords fresh insights to explore the lithium anode and design robust lithium metal batteries based on the comprehensive understand-ing of the stripping electrochemistry.

关键词： dead lithium dendrite lithium metal batteries solid electrolyte interphase stripping models

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Introduction of Multifunctional Small Molecule as Buried Interface Passivator for Efficient Planar Perovskite Solar Cells

Introduction of Multifunctional Small Molecule as Buried Int...

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第三届全国太阳能电池材料与器件大会

作者： Meizi Wu Yuwei Duan Peng You Zhike Liu College of New Materials and New Energies Shenzhen Technology University Key Laboratory of Applied Surface and Colloid Chemistry National Ministry of EducationInstitute for Advanced Energy MaterialsSchool of Materials Science and EngineeringShaanxi Normal University

Introduction P-biguanylbenzoic acid hydrochloride （PBGH） is developed to modify the SnO/perovskite *** one hand,the PBGH can effectively passivate the trap states of Sni and V on the SnO surface via Lewis acid/base coordination,which is conducive to improving the conductivity of SnO film and accelerate the electron *** the other hand,PBGH modification assists the formation of high-quality perovskite film with low defect density due to its strong interaction with ***,the PBGHmodified PSC exhibits a champion PCE of 24.79%.

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