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Construction of hollow binary oxide heterostructures by Ostwald ripening for superior photoelectrochemical removal of reactive brilliant blue KNR dye 利用奥斯特瓦尔德熟化技术构建空心二元氧化物异质结构,以实现对活性艳蓝KNR染料的高效光电去除
Pub Date : 2023-07-01 DOI: 10.1016/j.apmate.2023.100117
Hongchao Ma , Fanyue Zhao , Ming Li , Pengyuan Wang , Yinghuan Fu , Guowen Wang , Xinghui Liu

Although the Ostwald ripening approach is often utilized to manufacture single hollow metal oxide, constructing hollow binary oxide heterostructures as potent photoelectrochemical (PEC) catalysts is still obscure and challenging. Herein, we reveal a general strategy for fabricating hollow binary oxides heterostructures (Co3O4-δ-MnO2 and Co3O4–SnO2) utilizing Ostwald ripening. Hollow Co3O4-δ-MnO2 nano-network with the structure evolution process was systematically explored through experimental and theoretical tools, identifying the origin of hollow binary oxides due to the interfaces acting as landing sites for their growth. In addition, the structural evolution, from hollow Co3O4-δ-MnO2 to Co3O4-α-MnO2, can be observed when the time of secondary hydrothermal reaches 96 ​h due to the topotactic layer-to-tunnel transition process. Notably, optimized Co3O4-δ-MnO2-48 exhibits a superior PEC degradation efficiency of 96.42% and excellent durability (20,000 ​min) under harsh acid conditions, attributed to the massive hollow structures' vast surface area for high intently active species. Furthermore, density functional theory simulations elucidated the Co3O4-δ-MnO2’ electron-deficient surface and high d-band center (Co3O4-δ-MnO2, -1.06; Co3O4-α-MnO2, -1.49), strengthening the interaction between the catalyst's surface and active species and prolonging the lifetime of active species of •O2 and 1O2. This work not only demonstrates superior PEC degradation efficiency of hollow Co3O4-δ-MnO2 for practical use but also lays the cornerstone for constructing hollow binary oxides heterostructures through Ostwald ripening.

尽管奥斯特瓦尔德熟化方法经常用于制造单个中空金属氧化物,但构建中空二元氧化物异质结构作为有效的光电化学(PEC)催化剂仍然是未知和具有挑战性的。在此,我们揭示了利用奥斯特瓦尔德熟化制备中空二元氧化物异质结构(Co3O4-δ-MnO2和Co3O4–SnO2)的一般策略。通过实验和理论工具,系统地探索了空心Co3O4-δ-MnO2纳米网络的结构演化过程,确定了空心二元氧化物的起源,因为界面是其生长的着陆点。此外,当二次水热时间达到96时,可以观察到从空心Co3O4-δ-MnO2到Co3O3-α-MnO2的结构演变​h由于拓扑层到隧道的过渡过程。值得注意的是,优化的Co3O4-δ-MnO2-48表现出96.42%的优异PEC降解效率和优异的耐久性(20000​min),这归因于块状中空结构对于高浓度活性物种的巨大表面积。此外,密度泛函理论模拟阐明了Co3O4-δ-MnO2的缺电子表面和高d带中心(Co3O5-δ-MnO2-1.06;Co3O3-α-MnO2-1.49),增强了催化剂表面与活性物种之间的相互作用,延长了•O2−和1O2活性物种的寿命。这项工作不仅证明了中空Co3O4-δ-MnO2在实际应用中具有优异的PEC降解效率,而且为通过Ostwald熟化构建中空二元氧化物异质结构奠定了基础。
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引用次数: 14
Unveiling the unique bifunctionality of L12-structured nanoprecipitates in a FeCoNiAlTi-type high-entropy alloy 揭示了feconialti型高熵合金中l12结构纳米沉淀物的独特双功能
Pub Date : 2023-07-01 DOI: 10.1016/j.apmate.2023.100113
Jianyang Zhang , Zhankun Zhao , Qian Li , Junhua Luan , Chain-Tsuan Liu , Yilu Zhao , Tao Yang

Nanoprecipitation strengthening has been widely adopted as an effective way to design high-strength alloys, which generally leads to the loss of ductility. Here we unveil the unique bifunctionality of L12-structured nanoprecipitates in a FeCoNiAlTi-type high entropy alloy , enabling the combined increase of tensile strength and ductility. Results show that as-quenched precipitate-free matrix alloys undergo thermally-induced martensite transformation and form the body-centered cubic martensite phase with limited tensile ductility. In strong contrast, when introducing the dense coherent L12-type nanoprecipitates, the face-centered cubic matrix is temporarily stabilized, which in turn promotes the microbands-induced plasticity associated with stress-induced martensite transformation upon deformation. This allows us to achieve significantly improved work hardening capability and excellent plastic deformation stability at a high-strength level. These new findings reshape our understanding of the precipitation strengthening and could provide useful guidance for developing high-performance alloys by regulating the coherent nanoprecipitate and martensitic phase transformation.

纳米沉淀强化是设计高强度合金的一种有效方法,通常会导致延展性的损失。在这里,我们揭示了FeCoNiAlTi型高熵合金中L12结构纳米沉淀物的独特双功能性,使拉伸强度和延展性得以共同提高。结果表明,无沉淀基体合金在淬火后发生热致马氏体相变,形成了具有有限拉伸延展性的体心立方马氏体相。与此形成鲜明对比的是,当引入致密的相干L12型纳米沉淀物时,面心立方基体暂时稳定,这反过来促进了与变形时应力诱导的马氏体转变相关的微带诱导塑性。这使我们能够在高强度水平上实现显著提高的加工硬化能力和优异的塑性变形稳定性。这些新发现重塑了我们对沉淀强化的理解,并可以通过调节相干纳米沉淀和马氏体相变,为开发高性能合金提供有用的指导。
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引用次数: 5
Greatly improved piezoelectricity and thermal stability of (Na, Sm) Co-doped CaBi2Nb2O9 ceramics 大大提高了(Na, Sm)共掺CaBi2Nb2O9陶瓷的压电性和热稳定性
Pub Date : 2023-07-01 DOI: 10.1016/j.apmate.2023.100116
Xiaogang Luo , Zhongna Yan , Hang Luo , Xuefan Zhou , Boyuan Li , Man Zhang , Dou Zhang

Calcium bismuth niobate (CaBi2Nb2O9) is regarded as one of the most potential high-temperature piezoelectric materials owing to its highest Curie point in bismuth layer-structured ferroelectrics. Nevertheless, low piezoelectric coefficient and low resistivity at high temperature considerably restrict its development as key electronic components. Herein, markedly improved piezoelectric properties and DC resistivity of CaBi2Nb2O9 ceramics through Na+ and Sm3+ co-doping are reported. The nominal compositions Ca1-2x(Na, Sm)xBi2Nb2O9 (x ​= ​0, 0.01, 0.025, and 0.05) ceramics have been prepared via the conventional solid state method. An optimum composition of Ca0.95(Na, Sm)0.025Bi2Nb2O9 is obtained, which possesses a high Curie point of ∼949 ​°C, a piezoelectric coefficient of ∼12.8 ​pC/N, and a DC electrical resistivity at 500 ​°C of ∼4 ​× ​107 ​Ω ​·cm. The improved d33 is probably ascribed to the reduction in domain size and the increase in domain wall density caused by the reduced grain size. More importantly, after annealing at 900 ​°C for 2 ​h, the piezoelectric coefficient still maintains about 90% of the initial d33 value, which displays a significant improvement compared to pure CaBi2Nb2O9 ceramic with only 44% of the initial d33 value. This work exhibits a feasible approach to simultaneously obtain high piezoelectric property and thermal stability in CaBi2Nb2O9 ceramics by Na+/Sm3+ co-doping.

铌酸钙铋(CaBi2Nb2O9)在铋层结构铁电体中具有最高的居里点,被认为是最有潜力的高温压电材料之一。然而,低压电系数和高温下的低电阻率极大地限制了其作为关键电子元件的发展。本文报道了通过Na+和Sm3+共掺杂显著改善CaBi2Nb2O9陶瓷的压电性能和直流电阻率。标称成分Ca1-2x(Na,Sm)xBi2Nb2O9(x​=​0、0.01、0.025和0.05)陶瓷。获得了Ca0.95(Na,Sm)0.025Bi2Nb2O9的最佳组成,其居里点高达~949​°C,压电系数~12.8​pC/N和500的直流电阻率​°C至4​×​107​Ω​·d33的改善可能归因于晶粒尺寸减小引起的畴尺寸的减小和畴壁密度的增加。更重要的是,在900℃退火后​2°C​h、 压电系数仍然保持初始d33值的约90%,这与仅初始d33的44%的纯CaBi2Nb2O9陶瓷相比显示出显著的改善。本工作展示了通过Na+/Sm3+共掺杂在CaBi2Nb2O9陶瓷中同时获得高压电性能和热稳定性的可行方法。
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引用次数: 4
Al2O3 nanoparticles as surface modifier enables deposition of high quality perovskite films for ultra-flexible photovoltaics Al2O3纳米颗粒作为表面改性剂,可以沉积高质量的钙钛矿薄膜,用于超柔性光伏电池
Pub Date : 2023-06-17 DOI: 10.1016/j.apmate.2023.100142
Zhiyong Wang , Qingshun Dong , Ying Yan , Zikeng Fang , Guojun Mi , Mingzhu Pei , Shuhong Wang , Linghui Zhang , Jing Liu , Min Chen , Hongru Ma , Ruiting Wang , Jie Zhang , Chun Cheng , Yantao Shi

Advanced photovoltaics, such as ultra-flexible perovskite solar cells (UF-PSCs), which are known for their lightweight design and high power-to-mass ratio, have been a long-standing goal that we, as humans, have continuously pursued. Unlike normal PSCs fabricated on rigid substrates, producing high-efficiency UF-PSCs remains a challenge due to the difficulty in achieving full coverage and minimizing defects of metal halide perovskite (MHP) films. In this study, we utilized Al2O3 nanoparticles (NPs) as an inorganic surface modifier to enhance the wettability and reduce the roughness of poly-bis(4-phenyl) (2,4,6-trimethylphenyl) amine simultaneously. This approach proves essentials in fabricating UF-PSCs, enabling the deposition of uniform and dense MHP films with full coverage and fewer defects. We systematically investigated the effect of Al2O3 NPs on film formation, combining simulation with experiments. Our strategy not only significantly increases the power conversion efficiency (PCE) from 11.96% to 16.33%, but also promotes reproducibility by effectively addressing the short circuit issue commonly encountered in UF-PSCs. Additionally, our UF-PSCs demonstrates good mechanical stability, maintaining 98.6% and 79.0% of their initial PCEs after 10,000 bending cycles with radii of 1.0 and 0.5 ​mm, respectively.

先进的光伏电池,如超柔性钙钛矿太阳能电池(uf - psc),以其轻量化设计和高功率质量比而闻名,一直是我们作为人类不断追求的长期目标。与在刚性衬底上制造的普通PSCs不同,由于难以实现金属卤化物钙钛矿(MHP)薄膜的完全覆盖和最大限度地减少缺陷,生产高效的UF-PSCs仍然是一个挑战。在这项研究中,我们利用Al2O3纳米颗粒(NPs)作为无机表面改性剂,同时提高聚双(4-苯基)(2,4,6-三甲基苯基)胺的润湿性和降低粗糙度。这种方法被证明是制造uf - psc的关键,它可以沉积均匀致密的MHP薄膜,具有全覆盖和更少的缺陷。采用模拟与实验相结合的方法,系统地研究了Al2O3纳米颗粒对薄膜形成的影响。我们的策略不仅将功率转换效率(PCE)从11.96%显著提高到16.33%,而且通过有效解决uf - psc中常见的短路问题,提高了再现性。此外,我们的uf - psc表现出良好的机械稳定性,在半径为1.0和0.5 mm的10,000次弯曲循环后,其初始pce分别保持98.6%和79.0%。
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引用次数: 1
Functional inorganic additives in composite solid-state electrolytes for flexible lithium metal batteries 柔性锂金属电池用复合固态电解质中的功能性无机添加剂
Pub Date : 2023-06-13 DOI: 10.1016/j.apmate.2023.100141
Honglan Huang , Chao Liu , Ziya Liu , Yunyan Wu, Yifan Liu, Jinbo Fan, Gen Zhang, Pan Xiong, Junwu Zhu

Flexible lithium metal batteries with high capacity and power density have been regarded as the core power resources of wearable electronics. However, the main challenge lies in the limited electrochemical performance of solid-state polymer electrolytes, which hinders further practical applications. Incorporating functional inorganic additives is an effective approach to improve the performance, including increasing ionic conductivity, achieving dendrite inhibiting capability, and improving safety and stability. Herein, this review summarizes the latest developments of functional inorganic additives in composite solid-state electrolytes for flexible metal batteries with special emphasis on their mechanisms, strategies, and cutting-edge applications, in particular, the relationship between them is discussed in detail. Finally, the perspective on future research directions and the key challenges on this topic are outlooked.

高容量、高功率密度的柔性锂金属电池已被视为可穿戴电子产品的核心电源。然而,主要的挑战在于固态聚合物电解质的电化学性能有限,这阻碍了进一步的实际应用。加入功能性无机添加剂是提高离子电导率、实现枝晶抑制能力、提高安全性和稳定性等性能的有效途径。本文综述了柔性金属电池复合固态电解质中无机功能性添加剂的最新研究进展,重点介绍了无机功能性添加剂的作用机理、应用策略和应用前沿,并对无机功能性添加剂与柔性金属电池复合固态电解质之间的关系进行了详细讨论。最后,对未来的研究方向和面临的主要挑战进行了展望。
{"title":"Functional inorganic additives in composite solid-state electrolytes for flexible lithium metal batteries","authors":"Honglan Huang ,&nbsp;Chao Liu ,&nbsp;Ziya Liu ,&nbsp;Yunyan Wu,&nbsp;Yifan Liu,&nbsp;Jinbo Fan,&nbsp;Gen Zhang,&nbsp;Pan Xiong,&nbsp;Junwu Zhu","doi":"10.1016/j.apmate.2023.100141","DOIUrl":"10.1016/j.apmate.2023.100141","url":null,"abstract":"<div><p>Flexible lithium metal batteries with high capacity and power density have been regarded as the core power resources of wearable electronics. However, the main challenge lies in the limited electrochemical performance of solid-state polymer electrolytes, which hinders further practical applications. Incorporating functional inorganic additives is an effective approach to improve the performance, including increasing ionic conductivity, achieving dendrite inhibiting capability, and improving safety and stability. Herein, this review summarizes the latest developments of functional inorganic additives in composite solid-state electrolytes for flexible metal batteries with special emphasis on their mechanisms, strategies, and cutting-edge applications, in particular, the relationship between them is discussed in detail. Finally, the perspective on future research directions and the key challenges on this topic are outlooked.</p></div>","PeriodicalId":7283,"journal":{"name":"Advanced Powder Materials","volume":"3 1","pages":"Article 100141"},"PeriodicalIF":0.0,"publicationDate":"2023-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772834X23000337/pdfft?md5=a4a4906316b59b7ea169b1725e083595&pid=1-s2.0-S2772834X23000337-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75683410","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Chemically bonded BiVO4/Bi19Cl3S27 heterojunction with fast hole extraction dynamics for continuous CO2 photoreduction 化学键合BiVO4/Bi19Cl3S27异质结与快速空穴萃取动力学的连续CO2光还原
Pub Date : 2023-06-05 DOI: 10.1016/j.apmate.2023.100140
Baojing Huang , Xinxin Fu , Kai Wang , Liang Wang , Hualei Zhang , Zhongyi Liu , Bin Liu , Jun Li

Surface charge localization and inferior charge transfer efficiency seriously restrict the supply of reactive hydrogen and the reaction dynamics of CO2 photoreduction performance of photocatalysts. Herein, chemically bonded BiVO4/Bi19Cl3S27 (BVO/BCS) S-scheme heterojunction with a strong internal electric field is designed. Experimental and density function theory calculation results confirm that the elaborated heterojunction accelerates the vectorial migration of photogenerated charges from BiVO4 to Bi19Cl3S27 via the interfacial chemical bonding interactions (i.e., Bi-O and Bi-S bonds) between Bi atoms of BVO and S atoms of BCS or Bi atoms of BCS and O atoms of BVO under light irradiation, breaking the interfacial barrier and surface charge localization of Bi19Cl3S27, and further decreasing the energy of reactive hydrogen generation, CO2 absorption and activation. The separation efficiency of photogenerated carriers is much more efficient than that counterpart individual in BVO/BCS S-scheme heterojunction system. As a result, BVO/BCS heterojunction exhibits a significantly improved continuous photocatalytic performance for CO2 reduction and the 24 ​h CO yield reaches 678.27 ​μmol·g−1. This work provides an atomic-level insight into charge transfer kinetics and CO2 reduction mechanism in S-scheme heterojunction.

表面电荷的局部化和较低的电荷转移效率严重制约了活性氢的供给和光催化剂的CO2光还原性能。本文设计了具有强内电场的化学键合BiVO4/Bi19Cl3S27 (BVO/BCS) S-scheme异质结。实验和密度函数理论计算结果证实,精加工异质结通过BVO的Bi原子与BCS的S原子或BCS的Bi原子与BVO的O原子之间的界面化学键作用(即Bi-O和Bi-S键)加速了光生电荷从BiVO4向Bi19Cl3S27的矢量迁移,打破了Bi19Cl3S27的界面势垒和表面电荷局域化。进一步降低反应制氢、CO2吸收和活化的能量。在BVO/BCS S-scheme异质结体系中,光生载流子的分离效率远高于对应的个体。结果表明,BVO/BCS异质结的CO2连续光催化还原性能显著提高,24 h CO产率达到678.27 μmol·g−1。这项工作为s -图式异质结的电荷转移动力学和CO2还原机制提供了原子水平的见解。
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引用次数: 8
Selective laser melting of GH3536 superalloy: Microstructure, mechanical properties, and hydrocyclone manufacturing GH3536高温合金激光粉末床熔合:组织、力学性能及旋流器制造
Pub Date : 2023-05-28 DOI: 10.1016/j.apmate.2023.100134
Chengzhe Yu , Nan Chen , Ruidi Li , Tiechui Yuan , Shisen Huang , Xin Ma , Yi Zhang , Min Huang , Liang Lv , Ruoyu Liu , Yuanyuan Jiang , Xingyan Liu , Duan Lai

The effect of scanning strategy on the microstructure and properties of GH3536 Ni-based superalloy prepared by Laser Powder Bed Fusion was investigated, for the purpose of building high quality hydrocyclone part. The results show that the strength of Z67° (a zone with 67° hatch angle strategy) specimen is the highest among the four scanning strategies (0°, 67°, 90°and Z67°), with yield strength and tensile strength of 681 ​MPa and 837 ​MPa, respectively. Selective orientation of crystals occurs during the forming process because the longitudinal section of the specimen exhibits a high texture strength in (001). As the stretching proceeds, the plastic deformation mechanism of the specimen gradually changes from slip to twin-dominated, a substantial amount of twinning is observed in the region where the deformation of the specimen reaches 80%. The additive manufacturing simulation suite: Ansys Additive is used to simulate the stress and deformation of the part during the process, and the displacement results are consistent with the experimental phenomena. According to the simulation results, the structure design is optimized and the surface quality of the part is improved. The results show that the support of the part is more reasonable when the overhang angle is 45°.

为了制造高质量旋流器零件,研究了扫描策略对激光粉末床熔合制备GH3536镍基高温合金组织和性能的影响。结果表明:在0°、67°、90°和Z67°4种扫描策略中,Z67°(开口角策略为67°的区域)试样强度最高,屈服强度为681 MPa,抗拉强度为837 MPa;由于试样的纵断面在(001)中表现出较高的织构强度,在成形过程中发生了晶体的选择性取向。随着拉伸的进行,试件的塑性变形机制逐渐由滑移为主转变为孪晶为主,在试件变形量达到80%的区域出现了大量的孪晶。增材制造仿真套件:利用Ansys additive对零件在加工过程中的应力和变形进行模拟,位移结果与实验现象一致。根据仿真结果,优化了结构设计,提高了零件的表面质量。结果表明,当悬垂角为45°时,构件的支撑更为合理。
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引用次数: 0
Insights into atomically dispersed reactive centers on g-C3N4 photocatalysts for water splitting g-C3N4光催化剂上原子分散反应中心的研究进展
Pub Date : 2023-04-01 DOI: 10.1016/j.apmate.2022.100094
Wenzhe Shang , Wei Liu , Xiangbin Cai , Jinwen Hu , Jingya Guo , Cuncun Xin , Yuehui Li , Naitian Zhang , Ning Wang , Ce Hao , Yantao Shi

Co-catalysts decorations provide unique opportunity in promoting the photocatalytic water splitting performance of graphite carbon nitride (g-C3N4) system, while mechanistic understanding of this complex catalytic network remains elusive. Here, taking the single-atom-based photocatalysts (M1-g-C3N4) as an unprecedented simplified model system, we theoretically tracked the photocatalytic kinetics for a comprehensive understanding of the photocatalytic process and afforded the descriptor αS1-T1/αT1-S0 (ratio of the extent of S1-T1 and T1-S0 state mixing) and ΔGH∗ (hydrogen adsorpti on free energy) for rational screening of photocatalysts. The targeted Fe1-g-C3N4 yields an excellent H2 evolution rate (ca. 3.2 ⋅mmol·gcat−1·h−1 under full arc), two order of magnitude improvement relative to pristine g-C3N4 counterpart and also outperforms other representative 3d-transition-metal-based photocatalysts. This work presents a comprehensive understanding of the essential role of isolated atomic sites in the photocatalytic course and sheds light on the design of photocatalysts from both photophysical and photochemical aspects.

共催化剂的修饰为提高石墨-氮化碳(g-C3N4)体系的光催化分解水性能提供了独特的机会,而对这种复杂催化网络的机理理解仍然难以捉摸。本文以单原子基光催化剂(M1-g-C3N4)为一个前所未有的简化模型体系,我们从理论上跟踪了光催化动力学,以全面了解光催化过程,并提供了描述符αS1-T1/αT1-S0(S1-T1和T1-S0状态混合程度的比率)和ΔGH*(自由能上的氢吸附率),用于合理筛选光催化剂。靶向Fe1-g-C3N4产生了优异的析氢速率(约3.2·mmol·gcat−1·h−1,在全电弧下),与原始g-C3N4的对应物相比提高了两个数量级,并且也优于其他具有代表性的三维过渡金属基光催化剂。这项工作全面了解了孤立原子位点在光催化过程中的重要作用,并从光物理和光化学两个方面为光催化剂的设计提供了启示。
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引用次数: 17
MXenes in tribology: Current status and perspectives 摩擦学中的MXenes:现状与展望
Pub Date : 2023-04-01 DOI: 10.1016/j.apmate.2022.100092
Xiaonan Miao , Zhangpeng Li , Shuwen Liu , Jinqing Wang , Shengrong Yang

MXenes are an emerging class of new two-dimensional materials, which have been widely used in energy storage, catalysis, sensing, biology, and other fields due to their unique structure and properties. The distinct structure, low shear resistance, and easy-to-modify ability endow MXenes with particularly superior lubrication potentials. This review highlights the research status and applications of MXenes lubrication categorized into solid lubricants, lubricant additives, and reinforcement phase parts, summaries the influencing factors and lubrication mechanisms of MXenes lubrication, points out some unexplored research fields and unsettled questions, and then puts forwards possible solutions and prospects for the future research. The lubrication advances and potentials of MXenes are fully verified. Predictably, the emerging MXenes lubricants will exhibit remarkable application prospects in advanced manufacturing such as machining industries, automotive industries, micro/nano-electromechanical systems, and spacecraft components.

MXenes是一类新兴的二维新型材料,由于其独特的结构和性能,已被广泛应用于储能、催化、传感、生物学等领域。MXenes独特的结构、低剪切阻力和易于改性的能力赋予了它特别优越的润滑潜力。综述了MXenes润滑的研究现状和应用,分为固体润滑剂、润滑剂添加剂和增强相零件,总结了MXene斯润滑的影响因素和润滑机理,指出了一些尚未探索的研究领域和悬而未决的问题,并对未来的研究提出了可能的解决方案和展望。MXenes的润滑进展和潜力得到了充分验证。可以预见,新兴的MXenes润滑剂将在机械加工行业、汽车行业、微/纳米机电系统和航天器部件等先进制造业中展现出非凡的应用前景。
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引用次数: 20
Elemental segregation inhibits hydrogen embrittlement in aluminium alloys 元素偏析抑制铝合金中的氢脆
Pub Date : 2023-04-01 DOI: 10.1016/j.apmate.2022.100099
Jun Hui , Biao Wang , Jiapeng Chen , Xiaoyong Zhang

In this study, we performed first-principles calculations to determine the effects of four metallic solutes (Y, Zr, Mg, and Zn) on the hydrogen embrittlement (HE) of aluminum alloys with the Σ5(210) grain boundary (GB). The segregation energy, associated segregation concentration, and binding energy of these solutes were examined to identify their states. Moreover, the ability of the aforementioned solutes to inhibit or promote HE in the aforementioned alloys through GB energy, free surface energy, and adhesion was investigated. The Griffith and Rice–Wang–Scheiber models were used to determine the effect of nonequilibrium concentration on adhesion. Tensile tests were performed using the uniaxial strain loading method to determine the ultimate tensile strength and GB elongation of the considered alloys. The mechanism of HE inhibition by the four solutes was investigated by examining the charge density, Bader charge, and crystal orbital Hamiltonian population of the alloys. Finally, the calculation results of this study were validated through experiments.

在本研究中,我们进行了第一性原理计算,以确定四种金属溶质(Y、Zr、Mg和Zn)对具有∑5(210)晶界(GB)的铝合金的氢脆(HE)的影响。检测了这些溶质的偏析能、相关偏析浓度和结合能,以确定它们的状态。此外,研究了上述溶质通过GB能、自由表面能和粘附力抑制或促进上述合金中HE的能力。Griffith和Rice–Wang–Scheiber模型用于确定非平衡浓度对粘附的影响。使用单轴应变加载法进行拉伸试验,以确定所考虑合金的极限拉伸强度和GB伸长率。通过检测合金的电荷密度、Bader电荷和晶体轨道哈密顿布居,研究了四种溶质对HE的抑制机制。最后,通过实验验证了本研究的计算结果。
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引用次数: 1
期刊
Advanced Powder Materials
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