碳纳米管有序排列的研究进展Ⅰ碳纳米管的多维排列

综述了近年来制备碳纳米管的有序排列的情况,第一部分主要概括碳纳米管的多维排列,第二部分包括:(1)碳纳米管的一维排列;(2)有序排列碳纳米管的表征技术;(3)有序排列碳纳米管的应用。     

Stabilizing Low-Valence Single Atoms by Constructing Metalloid Tungsten Carbide Supports for Efficient Hydrogen Oxidation and Evolution

Designing novel single-atom catalysts (SACs) supports to modulate the electronic structure is crucial to optimize the catalytic activity, but rather challenging. Herein, a general strategy is proposed to utilize the metalloid properties of supports to trap and stabilize single-atoms with low-valence states. A series of single-atoms supported on the surface of tungsten carbide (M-WC_x, M=Ru, Ir, Pd) are rationally developed through a facile pyrolysis method. Benefiting from the metalloid properties of WC_x, the single-atoms exhibit weak coordination with surface W and C atoms, resulting in the formation of low-valence active centers similar to metals. The unique metal-metal interaction effectively stabilizes the low-valence single atoms on the WC_x surface and improves the electronic orbital energy level distribution of the active sites. As expected, the representative Ru-WC_x exhibits superior mass activities of 7.84 and 62.52 A mg_Ru⁻¹ for the hydrogen oxidation and evolution reactions (HOR/HER), respectively. In-depth mechanistic analysis demonstrates that an ideal dual-sites cooperative mechanism achieves a suitable adsorption balance of H_ad and OH_ad, resulting in an energetically favorable Volmer step. This work offers new guidance for the precise construction of highly active SACs.     

The Reaction of Indole Magnesium Bromide with Ketones I. The Reaction of Indole Magnesium Bromide with Cyclohexanone

Indole magnesium bromide, produced by reacting indole with n-butyl magnesium bromide in ether, was reacted with cyclohexanone at ice or room temperature to yield 1-(indol-I-yl)-cyclohexanol (I), which is unstable and may be decomposed easily into indole and cyclohexanone in acidic condition. Indole magnesium bromide reacted with cyclohexanone in refluxing benzene or in anisole at 80°C, to form two products, 1-(indol-3-yl)-cyclohexanol (II) and 1-(indol-3-yl)-cyclohexene (III). (II) could be converted to (III) by heating (II) in phosphoric acid. Reaction of III with maleic anhydride gave a Diels-Alder adduct (IV). Reaction of indole magnesium bromide with cyclohexanone in anisole at 130°C yielded (III) and a trimolecular condensation product of cyclohexanone (V).     

Simulation study of a capacitively coupled plasma torch array

Using capacitively coupled electrical discharges, an array of three plasma torches powered by a single 60-Hz source are lit up simultaneously to produce a dense plasma in the open air. The discharge voltage and current of each torch is measured for three cases of one to three torches being lit up in the array. The results determine the ν-i characteristic of the discharge which indicates that the torch is operating in a diffuse are mode. The torch array is modeled by an equivalent circuit for simulating its operation. The simulation results of the discharge voltage and current of a torch are shown to agree well with those from the experimental measurements for the three cases. The lump circuit model is then used to carry out numerical simulations of the discharge for a broad parameter space of plasma species. By fitting the simulation results, a function giving the parametric dependence of the consumed average power density 〈P〉 on the normalized average electron density 〈n_e〉 maintained in the plasma is determined to be 〈P〉 48 〈n_e〉 ^1.9α_^0.4(W/cm³), where 〈n_e〉 is normalized to 10¹³cm^-3 and α_, the electron-ion recombination coefficient normalized to 10^-7 cm³·s^-1, is used as a variable parameter in the simulation     

Theoretical study of the structural and electronic properties of SimGen and SimGen- (s = m + n <or= 7) clusters

Ground-state structures, vibrational frequencies, HOMO-LUMO energy gap, electron affinities, and cluster mixing energy of binary semiconductor clusters SimGen in the range s = m + n 相似文献   

Comprehensive analysis of the hydrogen bond network morphology and OH stretching vibrations in protonated methanol-water mixed clusters, H(+)(MeOH)1(H2O)n (n = 1-8)

Density functional theory (DFT) calculations of protonated methanol-water mixed clusters, H (+)(MeOH) 1(H 2O) n ( n = 1-8), were extensively carried out to analyze the hydrogen bond structures of the clusters. Various structural isomers were energy optimized, and their relative energies with zero point energy corrections and temperature dependence of the free energies were examined. Coexistence of different morphological isomers was suggested. Infrared spectra were simulated on the basis of the optimized structures. The infrared spectra were also experimentally measured for n = 3-9 in the OH stretching vibrational region. The observed broad bands in the hydrogen-bonded OH stretch region were assigned in comparison with the simulations. From the DFT calculations, the preferential proton location was also investigated. Clear correlations between the excess proton location and the cluster morphology were found.     

Direct Assembly of Mesoporous Silica Functionalized with Polypeptides for Efficient Dye Adsorption

Herein, we introduce a new polypeptide‐functionalized mesoporous silica template fabricated from a biodegradable poly(ethylene oxide‐b‐?‐caprolactone) (PEO‐b‐PCL) diblock copolymer and a poly(tyrosine) (PTyr) biopolymer. The crystallization behavior of the PEO‐b‐PCL diblock copolymer changes after blending, but the secondary structure of PTry remains stable. After selective solvent extraction in THF, the PEO‐b‐PCL is removed, but PTyr remains within the silica matrix due to its different solubility. Fourier‐transform IR spectroscopic analysis (FTIR), thermal gravitometry analysis (TGA), small‐angle X‐ray scattering (SAXS), and X‐ray diffraction (XRD) studies confirm the retention of PTyr to form a polypeptide‐functionalized mesoporous material. The adsorption of methylene blue hydrate (MB) from aqueous solution into the polypeptide‐functionalized mesoporous silica is investigated, thus revealing that the nanocomposite exhibits a high adsorption capacity relative to pure silica due to hydrogen‐bonding interactions between the hydroxy phenolic group of PTyr and the N‐containing aromatic ring from MB.     

土剪破坏次声监测试验研究

土质滑坡临滑会产生次声波, 次声监测可以作为判断土质滑坡临滑的一种技术手段. 在考虑到滑坡的力学方式是以剪切破坏为主的前提下, 为了探明土质滑坡过程中的次声信号响应特征, 设计了土体直剪实验次声-力-位移联合监测系统, 开展了土体剪破坏次声监测试验, 在次声事件自动拾取的基础上, 结合黏性土渐进性破坏理论, 分析了剪切过程中的微观声学机理, 结果表明: (1)黏性土剪切破坏时发出的次声信号主要来源于弹性阶段中黏土颗粒的相互挤压、弹塑性阶段中以黏土胶体团粒本身的拉张破裂和应变软化阶段中土颗粒间的摩擦; (2)在土体剪切载荷的不同阶段, 次声信号的幅值大小呈现出应变软化阶段<弹性阶段<弹塑性阶段的规律; (3)剪切力与次声信号之间存在较强的相关性, 次声事件的峰值包络线与剪切力趋势线相当吻合, 并且次声信号的均方功率峰值都在推力峰值之前, 平均提前为22.95 s. 研究对进一步利用次声开展土质滑坡的监测和稳定性评价具有重要的理论参考价值.