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Influence of alloying element Nb on the γ′ phase structure and mechanical properties of Co–8.8Al–9.8W alloy 合金元素 Nb 对 Co-8.8Al-9.8W 合金的γ′相结构和力学性能的影响
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-26 DOI: 10.1007/s12034-024-03297-y
Wenjie Geng, Tongchao Wang, Yangtao Xu

Effect of Nb element on the microstructure and mechanical properties of Co–8.8Al–9.8W superalloy was analysed by studying the occupancy of Nb element in the lattice and difference in the microstructure evolution during deformation. The calculation results show that Nb atom occupies the first priority position of Al2 and the second priority position of W6, forming a γ′ phase doped structure, and its strength, hardness and structural stability are improved. In the process of high-temperature deformation, the dislocations of 0Nb alloy have the mechanisms of cutting and bypassing, which makes strengthening phase rafting phenomenon, and dislocation propagation in 2Nb alloy is difficult, and there are a lot of stacking faults. Compared to 0Nb alloy, 2Nb alloy has improved nano-indentation hardness and elasticity modulus.

通过研究铌元素在晶格中的占位和变形过程中微结构演变的差异,分析了铌元素对 Co-8.8Al-9.8W 超合金微结构和力学性能的影响。计算结果表明,铌原子占据了 Al2 的第一优先位置和 W6 的第二优先位置,形成了γ′相掺杂结构,其强度、硬度和结构稳定性均有所提高。在高温变形过程中,0Nb 合金的位错具有切割和绕过机制,使相筏现象得到强化,而 2Nb 合金的位错传播困难,存在大量堆叠断层。与 0Nb 合金相比,2Nb 合金的纳米压痕硬度和弹性模量都有所提高。
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引用次数: 0
Study of structure and properties of dual-size grain copper matrix composites prepared by NbC and rare earth element La 用 NbC 和稀土元素 La 制备的双尺寸晶粒铜基复合材料的结构和性能研究
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-23 DOI: 10.1007/s12034-024-03332-y
Ming Wen, Jingwei Li, Zengwu Zhao

Copper matrix composites with NbC content of 1 wt.% and La content of 0.02 wt.%, 0.04 wt.%, 0.06 wt.%, and 0.08 wt.% were prepared by high-energy ball milling and spark plasma sintering using rare earth element La, ceramic particle NbC, and electrolytic copper powder as raw materials. The effects of different La content on the properties of NbC-Cu composites were discussed by observing the microstructure of La-NbC-Cu composites and testing the hardness and conductivity. When the content of La is 0.06 wt.%, the La-NbC-Cu composite has a hardness of 62 HV and a good conductivity of 76.5% IACS. At this time, the internal stress of the material is reduced and ultrafine grains appear. Then, with the increase of La element, when the content of La is 0.08 wt.%, the hardness of copper matrix composites decreases due to the enrichment of La atoms on the surface of the reinforced phase.

以稀土元素 La、陶瓷颗粒 NbC 和电解铜粉为原料,通过高能球磨和火花等离子烧结制备了 NbC 含量为 1 wt.%、La 含量为 0.02 wt.%、0.04 wt.%、0.06 wt.% 和 0.08 wt.% 的铜基复合材料。通过观察 La-NbC-Cu 复合材料的微观结构并测试其硬度和导电性,讨论了不同 La 含量对 NbC-Cu 复合材料性能的影响。当 La 含量为 0.06 wt.% 时,La-NbC-Cu 复合材料的硬度为 62 HV,导电率为 76.5% IACS,导电性能良好。此时,材料的内应力降低,并出现超细晶粒。然后,随着 La 元素含量的增加,当 La 含量为 0.08 wt.%时,由于 La 原子在增强相表面的富集,铜基复合材料的硬度降低。
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引用次数: 0
Investigation on non-uniform oxidation behaviour in dendritic and interdendritic regions in a single-crystal Ni-based superalloy 关于单晶镍基超级合金树枝状和树枝状间区域非均匀氧化行为的研究
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-22 DOI: 10.1007/s12034-024-03333-x
Ze-Lei Wang, Ye-Bing Hu, Tie-Shan Cao, Cong-Qian Cheng, Jie Zhao

Oxidation behaviour of a third-generation Ni-based single-crystal superalloy was investigated at 900 and 1050°C by scanning electron microscopy, X-ray diffraction and electron probe microanalysis. The alloy showed non-uniform oxidation behaviour in dendritic and interdendritic regions. Re and W were enriched in the dendritic region, leading to the formation of Re2O7 and WO3, which were easy to volatile. As a result, the film in the dendritic region was loose and contained number of pores, providing an easy path for the outward diffusion of cations and inward diffusion of O2−. Moreover, the high Pilling–Bedworth ratio of Ta2O5 accumulated in the dendrite region, resulting in the occurrence of cracking and cyclic oxidation behaviour. Eventually, the synergistic effect between the loose oxide film and cyclic oxidation leads to more severe oxidation behaviour in dendritic regions of the alloy compared to interdendritic regions.

Graphical abstract

通过扫描电子显微镜、X 射线衍射和电子探针显微分析,研究了第三代镍基单晶超级合金在 900 和 1050°C 下的氧化行为。该合金在树枝状区域和树枝状区域间表现出不均匀的氧化行为。树枝状区域富含 Re 和 W,形成了 Re2O7 和 WO3,易于挥发。因此,树枝状区域的薄膜疏松且含有大量孔隙,为阳离子向外扩散和 O2- 向内扩散提供了便捷通道。此外,Ta2O5 的高 Pilling-Bedworth 比率在树枝状区域积累,导致裂纹和循环氧化行为的发生。最终,疏松氧化膜和循环氧化之间的协同效应导致合金树枝状区域的氧化行为比树枝间区域更为严重。
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引用次数: 0
Study of synergistic nanostructures of NiO/ZnO and their composite as high-performance electrodes for supercapacitor 作为超级电容器高性能电极的氧化镍/氧化锌协同纳米结构及其复合材料的研究
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-22 DOI: 10.1007/s12034-024-03308-y
Riya Malik, M P Geethu Lekshmi, Ankur Rana, Megha Rana, R Srivastava, C K Suman

Supercapacitors’ high power density and extended life cycle have drawn a lot of interest in energy storage devices. In this study, different nanostructures of nickel oxide (NiO) and zinc oxide (ZnO) were synthesized using the hydrothermal method by treating the corresponding metal precursors in a high-temperature aqueous solution. The XRD and SEM were used to analyse crystal structure and morphology, respectively. The absorption of ZnO and NiO materials is found to be in the visible range of 300–400 and 200–300 nm, respectively. The band gap of ZnO was calculated as 3.04 eV, while that of NiO was 3.93 eV. The supercapacitor electrode was fabricated on nickel foam with developed nanostructure and carbon materials. The composite ZnO and NiO materials showed an increase in capacitance compared to the bare NiO and ZnO electrodes. This enhancement could be related to improved charge transfer kinetics and increased surface area for electrolyte interaction. Galvanostatic charge–discharge, cyclic voltammetry and electrochemical impedance spectroscopy measurements were conducted to assess the electrochemical efficiency of nanomaterials and their composites. At the current density of 2 A g−1, the specific capacitance of the NiO/ZnO composite is found to be 351.54 F g−1, which is ~2 times of the bare NiO and ~3.34 times of bare ZnO. The maximum energy density of ZnO nanoparticles, NiO nanoflakes and the composite are found to be 3.96, 6.58 and 13.90 Wh kg-1, respectively. The charge storage process is the result of diffusion and redox reactions. This paper explores a binary oxide composites method for creating efficient supercapacitor electrode materials.

超级电容器具有功率密度高、使用寿命长等特点,因此在储能设备中备受关注。本研究采用水热法在高温水溶液中处理相应的金属前驱体,合成了不同的氧化镍(NiO)和氧化锌(ZnO)纳米结构。XRD 和 SEM 分别用于分析晶体结构和形貌。发现氧化锌和氧化镍材料的吸收分别在 300-400 纳米和 200-300 纳米的可见光范围内。计算得出氧化锌的带隙为 3.04 eV,而氧化镍的带隙为 3.93 eV。超级电容器电极是在泡沫镍上用开发的纳米结构和碳材料制成的。与裸氧化镍和氧化锌电极相比,氧化锌和氧化镍复合材料的电容有所提高。电容的提高可能与电荷转移动力学的改善和电解质相互作用表面积的增加有关。为了评估纳米材料及其复合材料的电化学效率,我们进行了静电充电-放电、循环伏安法和电化学阻抗谱测量。在电流密度为 2 A g-1 时,NiO/ZnO 复合材料的比电容为 351.54 F g-1,是裸 NiO 的约 2 倍,裸 ZnO 的约 3.34 倍。氧化锌纳米颗粒、氧化镍纳米片和复合材料的最大能量密度分别为 3.96、6.58 和 13.90 Wh kg-1。电荷存储过程是扩散和氧化还原反应的结果。本文探讨了一种二元氧化物复合材料方法,用于制造高效的超级电容器电极材料。
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引用次数: 0
Effect of particle size of cubic boron nitride powders on the properties of polycrystalline cubic boron nitride composites 立方氮化硼粉末的粒度对多晶立方氮化硼复合材料性能的影响
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-22 DOI: 10.1007/s12034-024-03326-w
Changjiang Xiao, Haoyu Zheng, Hongjun Tao, Jinming Ma, qunfei Zhang, Lihui Tang

Polycrystalline cubic boron nitride (PcBN) composites were prepared through high-temperature and high-pressure (HTHP) sintering process. Cubic boron nitride (cBN) powders with particle sizes of 0.2, 1, 3, and 8 μm were selected as raw materials, and Al-Co-TiN was employed as a binder. The effect of particle size of initial cBN powders on the microstructure, relative density, flexural strength, microhardness, fracture toughness and abrasive ratio of sintered PcBN composite were systematically studied. The results showed that synthesized products were mostly made of cBN, TiN, AlN, TiB2 and CoN phases. The mechanical properties of sintered PcBN composites first increased and then decreased with a reduction in the particle size of cBN powders. When the particle size of initial cBN powder was 1 µm, the binder was observed to be evenly distributed around the cBN grains in the sintered product. Moreover, there was a close bonding between cBN grains and the binder in the sintered product when the particle size of initial cBN powders was 1 µm, consequently, the optimal mechanical properties were achieved. The maximum values for relative density, flexural strength, microhardness, fracture toughness and abrasive ratio were 99.1%, 607 MPa, 47.06 GPa, 6.52 MPa·M1/2 and 7125, respectively.

通过高温高压(HTHP)烧结工艺制备了多晶立方氮化硼(PcBN)复合材料。选择粒径为 0.2、1、3 和 8 μm 的立方氮化硼(cBN)粉末作为原材料,并采用 Al-Co-TiN 作为粘结剂。系统研究了初始碳化硼粉末粒度对烧结碳化硼复合材料的微观结构、相对密度、抗弯强度、显微硬度、断裂韧性和磨料比的影响。结果表明,合成产物主要由 cBN、TiN、AlN、TiB2 和 CoN 相组成。随着 cBN 粉末粒径的减小,烧结 PcBN 复合材料的力学性能先升高后降低。当初始碳化硼粉末的粒度为 1 微米时,烧结产物中的粘结剂均匀地分布在碳化硼晶粒周围。此外,当初始 cBN 粉末的粒度为 1 µm 时,烧结产物中的 cBN 颗粒与粘结剂之间的结合非常紧密,因此获得了最佳的机械性能。相对密度、抗弯强度、显微硬度、断裂韧性和磨料比的最大值分别为 99.1%、607 MPa、47.06 GPa、6.52 MPa-M1/2 和 7125。
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引用次数: 0
Blend membranes of sulphonated poly(arylene ether sulphone) and sulphonated polybenzimidazole and their characterization for desalination applications 用于海水淡化的磺化聚(芳基醚砜)和磺化聚苯并咪唑共混膜及其特性分析
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-22 DOI: 10.1007/s12034-024-03322-0
Kaarthick Raaja Venkatachalam, Sachin M B Gautham, Anegondi Nateriachyuth, Jegatha Nambi Krishnan

Upon polycondensing, the monosodium salt of 2-sulphoterepthalic acid and 3,3′-diaminobenzidine resulted in sulphonated polybenzimidazole (s-p-PBI; amphiphilic polymer). The amphiphilic polymer was blended with commercially available sulphonated poly(arylene ether sulphone) (SPAES; acid polymer; IEC = 2.08 meq g−1). The s-p-PBI content in blend composition is varied from 2.5 to 30% (w/w). ATR-FTIR spectroscopy and TG analysis were examined to identify the interactions between the polymers upon blending. Cross-sectional morphology was analysed through SEM. With amphiphilic polymer addition, chlorine (hypochlorite) stability decreased and tensile strength improved. All the blend membranes showed improved water transport or restricted salt permeability than the pristine membrane (acid polymer). Water diffusivity permeability (Pw) of blend membrane AC-AM-97.5 (i.e., 97.5% (w/w) of SPAES and 2.5% (w/w) of s-p-PBI) is 1.285 cm2 s−1, while the pristine membrane is 0.864 cm2 s−1. NaCl permeability selectivity (Pw/Ps) of AC-AM-97.5 is 0.208 × 103, whereas pristine membrane shows 0.102 × 103.

经缩聚后,2-磺基对苯二甲酸单钠和 3,3′-二氨基联苯胺生成磺化聚苯并咪唑(s-p-PBI;两性聚合物)。该两性聚合物与市售的磺化聚(芳基醚砜)(SPAES;酸性聚合物;IEC = 2.08 meq g-1)混合。混合成分中的 s-p-PBI 含量从 2.5% 到 30%(重量比)不等。对 ATR-FTIR 光谱和 TG 分析进行了研究,以确定混合后聚合物之间的相互作用。通过扫描电镜分析了横截面形态。添加两性聚合物后,氯(次氯酸盐)稳定性降低,拉伸强度提高。与原始膜(酸性聚合物)相比,所有混合膜都改善了水的传输或限制了盐的渗透。混合膜 AC-AM-97.5(即 97.5% 的 SPAES 和 2.5% 的 s-p-PBI)的水扩散渗透率(Pw)为 1.285 cm2 s-1,而原始膜为 0.864 cm2 s-1。AC-AM-97.5 的 NaCl 渗透选择性(Pw/Ps)为 0.208 × 103,而原始膜为 0.102 × 103。
{"title":"Blend membranes of sulphonated poly(arylene ether sulphone) and sulphonated polybenzimidazole and their characterization for desalination applications","authors":"Kaarthick Raaja Venkatachalam,&nbsp;Sachin M B Gautham,&nbsp;Anegondi Nateriachyuth,&nbsp;Jegatha Nambi Krishnan","doi":"10.1007/s12034-024-03322-0","DOIUrl":"10.1007/s12034-024-03322-0","url":null,"abstract":"<div><p>Upon polycondensing, the monosodium salt of 2-sulphoterepthalic acid and 3,3′-diaminobenzidine resulted in sulphonated polybenzimidazole (s-p-PBI; amphiphilic polymer). The amphiphilic polymer was blended with commercially available sulphonated poly(arylene ether sulphone) (SPAES; acid polymer; IEC = 2.08 meq g<sup>−1</sup>). The s-p-PBI content in blend composition is varied from 2.5 to 30% (w/w). ATR-FTIR spectroscopy and TG analysis were examined to identify the interactions between the polymers upon blending. Cross-sectional morphology was analysed through SEM. With amphiphilic polymer addition, chlorine (hypochlorite) stability decreased and tensile strength improved. All the blend membranes showed improved water transport or restricted salt permeability than the pristine membrane (acid polymer). Water diffusivity permeability (<i>P</i><sub>w</sub>) of blend membrane AC-AM-97.5 (i.e., 97.5% (w/w) of SPAES and 2.5% (w/w) of s-p-PBI) is 1.285 cm<sup>2</sup> s<sup>−1</sup>, while the pristine membrane is 0.864 cm<sup>2</sup> s<sup>−1</sup>. NaCl permeability selectivity (<i>P</i><sub>w</sub><i>/P</i><sub>s</sub>) of AC-AM-97.5 is 0.208 × 10<sup>3</sup>, whereas pristine membrane shows 0.102 × 10<sup>3</sup>.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142453066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Revealing electrochemical performance of Ni doping LiFePO4 composite 揭示掺杂镍的磷酸铁锂复合材料的电化学性能
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-18 DOI: 10.1007/s12034-024-03295-0
Guimin Zhou, Peng Wang, Zengmou Li, Yin Li, Yaochun Yao

In this work, Ni2+ was doped into the crystal lattice of LiFePO4 to improve the electrochemical performance. Lengths of the Li–O bonds in LiFe0.98Ni0.02PO4/C (2% NiSO4-doped LiFePO4) is longer than that of the bare LiFePO4 sample, the micromorphology of LiFe0.98Ni0.02PO4/C sample becomes uniform, and the Ni2+ doped into LiFePO4 expands the crystal plane spacing, which is conducive to Li+ diffusion. Amongst all the doped samples, the Li+ diffusion coefffcient of LiFe0.98Ni0.02PO4/C is the largest, and the redox peak of LiFe0.98Ni0.02PO4/C is more symmetrical, sharper and narrower, indicating that the proper amount of Ni2+-modified LiFePO4 can improve the electrochemical performance. Specific discharge capacity at 1C is 152 mAh g−1 when the doping amount is 2%. Additionally, after 200 cycles at 2C, the discharge specific capacity can be attained at 140 mAh g−1 and capacity retention rate reached 98%.

本研究在磷酸铁锂的晶格中掺入了 Ni2+,以改善其电化学性能。LiFe0.98Ni0.02PO4/C(掺杂 2% NiSO4 的 LiFePO4)中 LiO 键的长度比裸 LiFePO4 样品长,LiFe0.98Ni0.02PO4/C 样品的微观形貌变得均匀,而且掺入 LiFePO4 中的 Ni2+ 扩大了晶面间距,有利于 Li+ 扩散。在所有掺杂样品中,LiFe0.98Ni0.02PO4/C样品的Li+扩散系数最大,LiFe0.98Ni0.02PO4/C样品的氧化还原峰更对称、更尖锐、更狭窄,表明适量的Ni2+修饰LiFePO4可以提高电化学性能。当掺杂量为 2% 时,1C 时的比放电容量为 152 mAh g-1。此外,在 2C 下循环 200 次后,放电比容量可达到 140 mAh g-1,容量保持率达到 98%。
{"title":"Revealing electrochemical performance of Ni doping LiFePO4 composite","authors":"Guimin Zhou,&nbsp;Peng Wang,&nbsp;Zengmou Li,&nbsp;Yin Li,&nbsp;Yaochun Yao","doi":"10.1007/s12034-024-03295-0","DOIUrl":"10.1007/s12034-024-03295-0","url":null,"abstract":"<div><p>In this work, Ni<sup>2+</sup> was doped into the crystal lattice of LiFePO<sub>4</sub> to improve the electrochemical performance. Lengths of the Li–O bonds in LiFe<sub>0.98</sub>Ni<sub>0.02</sub>PO<sub>4</sub>/C (2% NiSO<sub>4</sub>-doped LiFePO<sub>4</sub>) is longer than that of the bare LiFePO<sub>4</sub> sample, the micromorphology of LiFe<sub>0.98</sub>Ni<sub>0.02</sub>PO<sub>4</sub>/C sample becomes uniform, and the Ni<sup>2+</sup> doped into LiFePO4 expands the crystal plane spacing, which is conducive to Li<sup>+</sup> diffusion. Amongst all the doped samples, the Li<sup>+</sup> diffusion coefffcient of LiFe<sub>0.98</sub>Ni<sub>0.02</sub>PO<sub>4</sub>/C is the largest, and the redox peak of LiFe<sub>0.98</sub>Ni<sub>0.02</sub>PO<sub>4</sub>/C is more symmetrical, sharper and narrower, indicating that the proper amount of Ni<sup>2+-</sup>modified LiFePO<sub>4</sub> can improve the electrochemical performance. Specific discharge capacity at 1C is 152 mAh g<sup>−1</sup> when the doping amount is 2%. Additionally, after 200 cycles at 2C, the discharge specific capacity can be attained at 140 mAh g<sup>−1</sup> and capacity retention rate reached 98%.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142451124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring the synergistic potential of PVB: KCl composite electrolyte films for enhanced performance in solid-state potassium batteries 探索 PVB:KCl 复合电解质薄膜的协同潜力,以提高固态钾电池的性能
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-14 DOI: 10.1007/s12034-024-03340-y
K Nivetha, K Vijaya Kumar, N Krishna Jyothi, K Venkataratnam Kamma

Polyvinyl butyral (PVB) integrated with varying compositions of potassium chloride (KCl) was prepared through a solution-cast method in methanol, forming a PVB-based electrolyte film for solid-state potassium batteries. The incorporation of KCl into PVB matrix significantly altered the composite electrolyte film’s structural intricacies, bandgap modulation, thermal stability and facilitated functional group identification. Furthermore, the ionic conductivity of the PVB polymer electrolyte exhibited an initial enhancement followed by a subsequent reduction with the escalating ratio of KCl. Specifically, at 80 wt% PVB and 20 wt% KCl, its ionic conductivity reached a value of 1.87 × 10−5 S cm−1 at room temperature and 9.61 × 10−5 S cm−1 at 303 K temperature. The ion transference number, which denotes the relative ease with which potassium ions migrate within the PVB polymer-complexed electrolyte, was determined to be 0.98. Discharge tests on the cell, under 1.2 µA current and 2.1 V at room temperature, displayed an initial 9.16 µA h−1 discharge capacity.

通过在甲醇中溶液浇铸的方法制备了含有不同氯化钾(KCl)成分的聚乙烯醇缩丁醛(PVB),形成了一种基于 PVB 的固态钾电池电解质薄膜。在 PVB 基体中加入氯化钾后,复合电解质薄膜的结构复杂性、带隙调制、热稳定性都发生了显著变化,并促进了官能团的识别。此外,PVB 聚合物电解质的离子电导率最初有所提高,随后随着 KCl 比例的增加而降低。具体来说,当 PVB 含量为 80 wt%、KCl 含量为 20 wt% 时,其离子电导率在室温下为 1.87 × 10-5 S cm-1,在 303 K 温度下为 9.61 × 10-5 S cm-1。离子转移数(表示钾离子在 PVB 聚合物络合电解质中迁移的相对容易程度)被测定为 0.98。电池在室温下以 1.2 µA 电流和 2.1 V 电压进行放电测试,显示出 9.16 µA h-1 的初始放电容量。
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引用次数: 0
Doping-induced electronic transport properties in tetracene-based molecular device 四碳烯基分子器件中的掺杂诱导电子传输特性
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-10 DOI: 10.1007/s12034-024-03324-y
Sukhdeep Kaur, Rupendeep Kaur, Deep Kamal Kaur Randhawa, Rahul Sharma, Harmandar Kaur

Non-equilibrium Green’s function (NEGF) and density functional theory (DFT) calculations are used to explore the impact of doping on the electron transport properties in a single tetracene molecule linked to gold electrodes using isocyanide anchoring groups. Boron (B) and Nitrogen (N) atoms are used for doping and co-doping (BN) of the carbon atoms placed at the edge of the tetracene molecule. It was found that the chemical doping of tetracene molecules mainly impacts the rectification trends compared to non-doped molecules. Our findings indicate that B doping significantly improves the rectification ratio compared to other dopants because of a greater difference between the current values under positive and negative biases as a result of asymmetric I-V characteristics. These inferences have also been assessed in terms of MPSH and transmission spectra. In addition, novel characteristic of negative differential resistance (NDR) is attained in single dopant molecular junctions.

非平衡格林函数(NEGF)和密度泛函理论(DFT)计算用于探索掺杂对使用异氰酸酯锚定基团与金电极相连的单个蒽分子中电子传输特性的影响。硼(B)和氮(N)原子用于掺杂和共掺杂(BN)位于梭烯分子边缘的碳原子。研究发现,与未掺杂的分子相比,四蒽分子的化学掺杂主要影响整流趋势。我们的研究结果表明,与其他掺杂剂相比,掺杂 B 能显著提高整流比,因为不对称的 I-V 特性使得正负偏压下的电流值差异更大。这些推论还通过 MPSH 和透射光谱进行了评估。此外,单掺杂分子结还具有负微分电阻 (NDR) 的新特性。
{"title":"Doping-induced electronic transport properties in tetracene-based molecular device","authors":"Sukhdeep Kaur,&nbsp;Rupendeep Kaur,&nbsp;Deep Kamal Kaur Randhawa,&nbsp;Rahul Sharma,&nbsp;Harmandar Kaur","doi":"10.1007/s12034-024-03324-y","DOIUrl":"10.1007/s12034-024-03324-y","url":null,"abstract":"<div><p>Non-equilibrium Green’s function (NEGF) and density functional theory (DFT) calculations are used to explore the impact of doping on the electron transport properties in a single tetracene molecule linked to gold electrodes using isocyanide anchoring groups. Boron (B) and Nitrogen (N) atoms are used for doping and co-doping (BN) of the carbon atoms placed at the edge of the tetracene molecule. It was found that the chemical doping of tetracene molecules mainly impacts the rectification trends compared to non-doped molecules. Our findings indicate that B doping significantly improves the rectification ratio compared to other dopants because of a greater difference between the current values under positive and negative biases as a result of asymmetric <i>I-V</i> characteristics. These inferences have also been assessed in terms of MPSH and transmission spectra. In addition, novel characteristic of negative differential resistance (NDR) is attained in single dopant molecular junctions.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142411158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Influence of heat treatment and anodizing on the corrosion behaviour of additive manufactured AlSi10Mg alloy 热处理和阳极氧化对添加剂制造的 AlSi10Mg 合金腐蚀性能的影响
IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-10 DOI: 10.1007/s12034-024-03223-2
P Chandramohan, R Raghu, K Dharmaseelan, S Harinadh

Additive manufacturing (AM) processes produce complex and multifunctional items by layering pre-alloyed powder. Among them, direct metal laser sintering (DMLS) process encourages creation of distinct microstructures and internal phase distributions. These microstructures possess substantial influence on corrosion performance and mechanisms of corrosion resistance-improving surface treatments, such as anodizing. Hence, this study emphasize on corrosion performance of anodized and unanodized heat-treated AlSi10Mg samples manufactured through DMLS method. As built AlSi10Mg samples were subjected to stress relieving and T6 heat-treatment. The heat-treated samples were further subjected to anodizing process in H2SO4 electrolyte solution. Microstructural characterization of unanodized and anodized heat-treated samples was performed through microscopy analysis. In addition, corrosion experiments were performed in 1 M H2SO4 solution on anodized and unanodized heat-treated samples to determine Ecorr, Icorr and corrosion rate values. The corroded samples are further characterized to understand different failure mechanisms.

增材制造(AM)工艺通过分层预合金化粉末来生产复杂的多功能物品。其中,直接金属激光烧结(DMLS)工艺鼓励创建独特的微结构和内部相分布。这些微观结构对腐蚀性能和阳极氧化等提高耐腐蚀性能的表面处理机制具有重大影响。因此,本研究重点关注通过 DMLS 方法制造的阳极氧化和未阳极氧化热处理 AlSi10Mg 样品的腐蚀性能。制造好的 AlSi10Mg 样品要进行应力消除和 T6 热处理。热处理后的样品在 H2SO4 电解质溶液中进行阳极氧化处理。通过显微镜分析,对未阳极氧化和阳极氧化热处理样品进行了微观结构表征。此外,还在 1 M H2SO4 溶液中对阳极氧化和未阳极氧化的热处理样品进行了腐蚀实验,以确定 Ecorr、Icorr 和腐蚀速率值。对腐蚀后的样品进行了进一步表征,以了解不同的失效机制。
{"title":"Influence of heat treatment and anodizing on the corrosion behaviour of additive manufactured AlSi10Mg alloy","authors":"P Chandramohan,&nbsp;R Raghu,&nbsp;K Dharmaseelan,&nbsp;S Harinadh","doi":"10.1007/s12034-024-03223-2","DOIUrl":"10.1007/s12034-024-03223-2","url":null,"abstract":"<div><p>Additive manufacturing (AM) processes produce complex and multifunctional items by layering pre-alloyed powder. Among them, direct metal laser sintering (DMLS) process encourages creation of distinct microstructures and internal phase distributions. These microstructures possess substantial influence on corrosion performance and mechanisms of corrosion resistance-improving surface treatments, such as anodizing. Hence, this study emphasize on corrosion performance of anodized and unanodized heat-treated AlSi10Mg samples manufactured through DMLS method. As built AlSi10Mg samples were subjected to stress relieving and T6 heat-treatment. The heat-treated samples were further subjected to anodizing process in H<sub>2</sub>SO<sub>4</sub> electrolyte solution. Microstructural characterization of unanodized and anodized heat-treated samples was performed through microscopy analysis. In addition, corrosion experiments were performed in 1 M H<sub>2</sub>SO<sub>4</sub> solution on anodized and unanodized heat-treated samples to determine <i>E</i><sub>corr</sub>, <i>I</i><sub>corr</sub> and corrosion rate values. The corroded samples are further characterized to understand different failure mechanisms.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142411187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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