Co-B非晶态合金中电子转移问题的量子化学研究

根据Co -B非晶态结构的短程有序、Co和B之间是较强的化学作用以及化学键理论 ,设计了ComB2 (m=1～ 4)原子簇模型 ,用DFT方法对其进行高水平的量子化学计算 ,结果表明 ,模型体系ComB2 (m =1～ 4)中 ,B原子供给Co原子电子 ,这与非晶态合金的实验结果一致 ,同时存在B -B直接相连 ,为了比较 ,也选择了ConB (n =1～ 4)模型 ,计算结果与实验不符 ,说明ComB2 (m =1～ 4)原子簇模型更能反映非晶态的结构特点 .     

Self-assembled gold nanochains hybrid based on insulin fibrils

We reported a facile method for preparing self-assembly gold nanochains by using insulin fibrils as biotemplate in aqueous environment. The gold nanochains hybrid nanostructures, which are insulin fibrils coated by gold nanoparticles, can be fabricated by simply reducing the salt precursors using DMAB. By increasing the molar ratio between salt precursors and insulin, denser hybrid nanochains can be obtained, meanwhile the mean diameter of gold nanoparticles is changing from 8 to 10 nm and then to 12 nm. The fabricated gold nanochains hybrid had helix structure, which was confirmed by circular dichroism spectra. The hybrid nanostructures were also investigated by transmission electron microscope, atomic force microscope, Fourier transform infrared spectra, and UV–Visible spectroscopy. As the wire-like structure become denser, the suspensions show color-changing, corresponding to the surface plasmon resonance red shift, which is attributed to the increasing mean size of nanoparticles. Based on the characterizations, a hypothetic mechanism was suggested to describe the formation processing of hybrid gold nanochains.     

Amorphous Cobalt Boride Alloy Synthesized by Liquid Phase Methods as Electrode Materials for Electrochemical Capacitors

An amorphous cobalt boride alloy with high electronic conductivity is fabricated through the liquid-phase reduction method. Benefiting from large specific surface area and hierarchical pore structure, the as-synthesized Co-B nanoflakes expose substantial electrochemical active sites, promote the transfer of electrons and ions, and accelerate the redox kinetic process. The as-obtained amorphous Co-B alloy sample displays a specific capacitance of 411 F g⁻¹ at 0.5 A g⁻¹, and with the current density increased to 10 A g⁻¹, it maintains 69% of the initial capacitance. The as-assembled asymmetric supercapacitor device reveals electrochemical properties comprising an excellent specific capacitance of 64.3 F g⁻¹ at 0.25 A g⁻¹, superior cyclical stability of 105% after 20,000 cycles at 3 A g⁻¹, and maximum energy density of 22.9 Wh kg⁻¹ at a power density of 200.3 W kg⁻¹. This study demonstrates great potential in developing high-conductivity materials for an asymmetric supercapacitor through utilizing an amorphous cobalt boride alloy as a promising electrode material.     

Bimetallic Au–Ag nanochains as SERS substrates

Au–Ag bimetallic nanochains were prepared using pulsed laser ablation in liquid medium. Synthesis was performed by ablating silver target in a gold colloidal suspension. The plasmon characteristics of the nanostructures are found to be sensitive to ablation duration. AFM and TEM images indicate that almost all nanoparticles, both Au and Ag in the suspension participate in the growth process. An attempt was also made to realize plasmon hybridization by reducing the volume of the suspension by simple evaporation. The nanochains were tested for application as SERS substrates by using crystal violet as probe molecules.     

Control of the aggregation behavior of silver nanoparticles in polyurethane matrix

By using N,N-dimethylformamide (DMF) as a solvent and reducing agent, and polyurethane (PU) as a structure-directing agent, flexible silver nanochains are formed under mild conditions with mean diameter of 15.97 and 35.6 nm, respectively. Some linear chain-like aggregates of silver nanoparticles with mean diameter of 6.69 nm are also formed by controlling the experimental condition. In parallel experiment, silver nanospheres with mean diameters of 5.76 nm, instead of nanochains are generated when antioxidants are added. After 3 days of aging, some nano clusters are transformed into triangular or hexagonal nanoplates. This aggregation behavior was characterized by UV–Vis spectroscopy, TEM, and powder X-ray diffraction. The aggregation mechanism of silver nanoparticles in the PU and ATPU was discussed. Our results provide potential application for new generation of nanodevice.     

Nanocomposites of magnetic cobalt nanoparticles and cellulose

Polymeric matrices with stabilized metallic nanoparticles constitute an important class of nanostructured materials, because polymer technology allows fabrication of components with various electronic, magnetic and mechanical properties. The porous cellulose matrix has been shown to be a useful support material for platinum, palladium, silver, copper and nickel nanoparticles. In the present study, nanosized cobalt particles with enhanced magnetic properties were made by chemical reduction within a microcrystalline cellulose (MCC) matrix. Two different chemical reducers, NaBH₄ and NaH₂PO₂, were used, and the so-formed nanoparticles were characterized with X-ray absorption spectroscopy, X-ray diffraction, scanning electron microscopy and transmission electron microscopy. These experimental techniques were used to gain insight into the effect of different synthesis routes on structural properties of the nanoparticles. Magnetic properties of the nanoparticles were studied using a vibrating sample magnetometer. Particles made via the NaBH₄ reduction were amorphous Co-B or Co oxide composites with diminished ferromagnetic behaviour and particles made via the NaH₂PO₂ reduction were well-ordered ferromagnetic hcp cobalt nanocrystals.     

非晶Ti3Al合金的变形晶化机理的原子模拟

利用分子动力学方法研究了非晶Ti₃Al合金拉伸过程中的晶化行为，模拟结果表明局部塑性变形导致非晶合金晶化.从微观结构演化的角度分析了拉伸过程中的晶化机理，局部剪切导致拉伸过程中晶粒发生成核与合并，最终生成的晶粒具有面心立方结构.晶核的生长过程伴随着应力强化现象，非晶相中的纳米晶粒能提高非晶合金材料的强度. 关键词： 非晶合金 变形晶化 分子动力学     

In situ observation of carbon-nanopillar tubulization caused by liquidlike iron particles

The tubulization process of amorphous carbon nanopillars was observed in situ by transmis-sion electron microscopy. Amorphous carbon nanopillars were transformed into graphitic tubules by annealing at 650-900 degrees C in the presence of iron nanoparticles. A molten catalyst nanoparticle penetrated an amorphous carbon nanopillar, dissolving it, and leaving a graphite track behind. An iron nanoparticle moved with its shape changing like an earthworm. We concluded that the tubulization mechanism is a solid-(quasiliquid)-solid mechanism where the carbon phase transformation is a kind of liquid phase graphitization of amorphous carbon catalyzed by liquefied metal-carbon alloy nanoparticles.     

非晶态合金与氢相互作用的研究进展

非晶态合金在力学性能、耐磨耐蚀性、磁性等方面比传统晶态合金具有显著优势,是一类有优良应用前景的新型结构与功能材料.非晶态合金与氢相互作用可以产生很多有趣的物理化学现象和应用.本文从物理基础和材料应用两个方面评述非晶态合金和氢相互作用的研究进展,在物理基础研究方面,从氢在非晶态合金中的存在状态出发,讨论氢在非晶态合金中的溶解、分布、占位和扩散等相关物理问题,进而分析氢对非晶态合金的热稳定性、磁性、内耗、氢脆等的影响.在材料应用研究方面,对非晶态储氢合金、非晶态合金氢功能膜、吸氢改善非晶态合金的塑性和玻璃形成能力、氢致非晶化、利用非晶态合金制备纳米储氢材料等方面的研究进展进行评述.最后总结并展望有关非晶态合金与氢相互作用的研究和应用.     

Silver-enhanced conductivity of magnetoplasmonic nanochains

A method for improving the electrical properties of one-dimensional conducting structures by reductive deposition of metallic silver on a gold surface is presented. Fe₃O₄@Au core–shell nanoparticles were used to fabricate conducting magnetoplasmonic nanochains (MPNCs) through magnetic-field-induced assembly. The MPNCs were prepared on a solid substrate. Their dimension was controlled by adjusting the pH of the colloidal solution. The nanochains (NCs) were placed across gold microelectrodes, and additional metal was deposited by highly specific chemical enhancement of the colloidal gold using a silver enhancement solution. Silver-enhanced MPNCs show a remarkable morphology and an impressive enhancement in electrical properties compared to the as-prepared MPNCs.     

非晶Ni88P12合金薄膜的表面形貌特征与晶化行为的研究

采用化学镀的方法在363K和p型Si（100）衬底上制得非晶Ni₈₈P₁₂合金薄膜．利用X射线衍射、X射线光电子能谱、扫描隧道显微镜和原子力显微镜对非晶合金薄膜及其经处理后形成的氧化态、还原态和晶态的结构、组分和表面的形貌特征作了研究，并对它的晶化行为作了初步探讨．结果表明，非晶合金薄膜是由纳米级微粒聚集成微米级颗粒组成；在低于晶化温度条件下经氧化和还原处理后的薄膜表面晶化；在晶化过程中，合金薄膜的非晶纳米微粒转变为微晶后长大成晶粒，其表面结构光滑平坦，几何边界 关键词：     

Characterization of core-shell nanoparticles by small angle neutron scattering

The Ni₃Si-type nanoparticles dispersed in a mixture of H₂O/D₂O were characterised by SANS using the contrast variation method. The existence of a core-shell structure in the nanoparticles with a Ni₃Si(Al) core and amorphous SiO_x shell is confirmed by the SANS measurements. The nanoparticles were produced by extracting precipitates from a bulk Ni-13.3Si-2Al ( at. %) alloy using electrochemical phase separation technique and were pre-characterised by X-ray diffraction and transmission electron microscopy. By comparing the precipitate morphology in the Ni-Si-Al alloy with the extracted nanoparticles in the SANS measurements, it is clearly established that the precipitates shape and size are unaffected by the extraction process and that the amorphous shell forms on top of the particle core. However, the present measurement could not confirm or exclude the presence of H atoms in the shell structure. PACS 61.12.Ex; 61.12.-q; 61.46.Df; 61.82.Rx     

Seed-mediated shape evolution of gold nanomaterials: from spherical nanoparticles to polycrystalline nanochains and single-crystalline nanowires

We studied the kinetics of the reduction of a gold precursor (HAuCl₄) and the effect of the molar ratio (R) of sodium citrate, which was introduced from a seed solution, and the gold precursor on the shape evolution of gold nanomaterials in the presence of preformed 13 nm gold nanoparticles as seeds. The reduction of the gold precursor by sodium citrate was accelerated due to the presence of gold seeds. Nearly single-crystalline gold nanowires were formed at a very low R value (R = 0.16) in the presence of the seeds as a result of the oriented attachment of the growing gold nanoparticles. At a higher R value (R = 0.33), gold nanochains were formed due to the non-oriented attachment of gold nanoparticles. At a much higher R value (R = 1.32), only larger spherical gold nanoparticles grown from the seeds were found. In the absence of gold seeds, no single-crystalline nanowires were formed at the same R value. Our results indicate that the formation of the 1D nanostructures (nanochains and nanowires) at low R values is due to the attachment of gold nanoparticles along one direction, which is driven by the surface energy reduction, nanoparticle attraction, and dipole–dipole interaction between adjacent nanoparticles.     

Fabrication high-purity Fe nanochains with near theoretical limit value of saturation magnetization of bulk Fe

High-yield purity chain-like one-dimensional nanostructures consisting of single crystal Fe nanoparticles have been produced by using solution dispersion approach. Room temperature magnetic measurement shows that the as-fabricated Fe nanochains are ferromagnetic with a high saturation magnetization (203 emu/g) whereas the nanoparticles are single magnetic domains, which indicate that the as-synthesized products have superparamagnetism behavior with the saturation magnetization of about 28 emu/g. Maybe this results from the directional alignment of the nanoparticles. The excellent characteristic may have led to the potential applications in spin filtering, high density magnetic recording, and nanosensors.     

Laser glazing study of Co-based alloy and Ni-Nb-Cr alloy coating

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Physical properties and microstructures of nanocrystals reinforced ice laser 3D print layer

Rapid prototyping based on laser alloying by the pre-placed mixed powders has been used to produce the nanocrystals reinforced three-dimensional layer in this study. Such a layer was fabricated on a TC17 titanium alloy by laser rapid prototyping (LRP) of the Co–Sb–TiB₂ mixed powders in ice. Scanning electron microscope (SEM) and high resolution transmission electron microscopy (HRTEM) test results indicated that the ice addition was able to decrease the maximum temperature of molten pool during the LRP process, favoring the formation of nanocrystals; growth of such nanocrystals was retarded by the surrounded amorphous in a certain extent, favoring the formations of ultrafine nanoparticles (UN), and the twin crystals and the high-angle grain boundaries were also observed; differential thermal analysis (DTA) test was used to explain the physical properties and formation mechanism of amorphous–nanocrystals, and also the relationship between the amorphous and nanocrystalline phases in such a LRP layer.     

Amorphous nanoparticles — Experiments and computer simulations

The data obtained by both experiments and computer simulations concerning the amorphous nanoparticles for decades including methods of synthesis, characterization, structural properties, atomic mechanism of a glass formation in nanoparticles, crystallization of the amorphous nanoparticles, physico-chemical properties (i.e. catalytic, optical, thermodynamic, magnetic, bioactivity and other properties) and various applications in science and technology have been reviewed. Amorphous nanoparticles coated with different surfactants are also reviewed as an extension in this direction. Much attention is paid to the pressure-induced polyamorphism of the amorphous nanoparticles or amorphization of the nanocrystalline counterparts. We also introduce here nanocomposites and nanofluids containing amorphous nanoparticles. Overall, amorphous nanoparticles exhibit a disordered structure different from that of corresponding bulks or from that of the nanocrystalline counterparts. Therefore, amorphous nanoparticles can have unique physico-chemical properties differed from those of the crystalline counterparts leading to their potential applications in science and technology.     

平面冲击波高速撞击下Zr41Ti14Cu12.5Ni10Be22.5大块非晶合金的损伤与断裂

 利用二级轻气炮研究了在平面冲击波高速撞击下，Zr₄₁Ti₁₄Cu_12.5Ni₁₀Be_22.5大块非晶合金的损伤与断裂行为。实验结果表明：在高速冲击压缩下，大块非晶合金断裂面的角度小于通常压缩情况的角度，这是由高速撞击下材料极高的应变速率决定的；极高的应变速率变形和局域绝热剪切加热造成局部熔化；在温度和压力的共同作用下，非晶合金发生晶化现象。     

Growth and micromagnetic simulation of magnetite nanoparticles

Magnetite nanoparticles with different sizes and different assemblies were synthesized via hydrothermal method.Micromagnetic simulation shows the magnetite nanocubes with different sizes have different energy states,which determines the assembly mode.Magnetite nanocubes with the side length of 30-60 nm tended to be dispersed while both nanochains and dispersed nanoparticles were found to grow for the nanocubes with the side length less than 30 nm,which can be explained in the fact that the above two assembl...     

稀土镍磷非晶合金的PAS和DSC研究

文中报导了在Ｎｉ－Ｐ非晶合金中掺入稀土元素钇（Ｙ）的诱导共沉积方法；并通过正电子湮没寿命谱和示差扫描量热计研究了Ｎｉ－Ｐ－Ｙ非晶合金的缺陷态及热稳定性；还从不同角度讨论了稀土元素对该合金热稳定性的贡献。