Two-dimensional self-assembly of esters with different configurations at the liquid-solid interface

Self-assembled monolayers of hexadecyl palmitate (HP) and 3,3′-thiodipropionic acid di-n-octadecyl ester (TADE) physisorbed on highly oriented pyrolytic graphite (HOPG) are investigated using scanning tunneling microscope (STM) and computer simulation. Both molecules form alkane-like linear shapes to maximize the interactions with substrate when they adsorb on HOPG surface. The HP molecules self-assemble into lamellae with the chain-trough angle of 48°, which is the result of a shifting 3/2 units from the adjacent molecule in a lamella. Based on the simulation insights combined with STM images, we confirm that a perpendicular orientation appears in which the HP molecular backbone is rotated 90° with respect to the substrate such that the carbonyl points away from the HOPG surface. TADE molecules form three kinds of configurations with chain-trough angles of 90°, 72° and 60° by shifting 0, 1/2 and 1 units from their adjacent molecules, respectively. The bright stripes in STM images reveal the electron density distribution of the part between two ester groups. The energy differences of three TADE adsorption configurations by molecular mechanics (MM) simulation are used to explain the structural coexistence phenomenon. It is also shown that lattice match between alkyl chain of molecules and HOPG substrate could change molecular conformation upon self-assembly.     

The important role of Mn in the room-temperature ferromagnetism of Mn-doped GaN films

Mn-doped GaN films (Ga_1−xMn_xN) were grown on sapphire (0 0 0 1) using Laser assisted Molecular Beam Epitaxy (LMBE). High-quality nanocrystalline Ga_1−xMn_xN films with different Mn concentration were then obtained by thermal annealing treatment for 30 min in the ammonia atmosphere. Mn ions were incorporated into the wurtzite structure of the host lattice by substituting the Ga sites with Mn³⁺ due to the thermal treatment. Mn³⁺, which is confirmed by XPS analysis, is believed to be the decisive factor in the origin of room-temperature ferromagnetism. The better room-temperature ferromagnetism is given with the higher Mn³⁺ concentration. The bound magnetic polarons (BMP) theory can be used to prove our room-temperature ferromagnetic properties. The film with the maximum concentration of Mn³⁺ presents strongest ferromagnetic signal at annealing temperature 950 °C. Higher annealing temperature (such as 1150 °C) is not proper because of the second phase Mn_xGa_y formation.     

Effect of substrate texture on the growth of hematite nanowires

The effect of texture of iron foil substrate on the growth of hematite nanowires by annealing method has been investigated in detail. Three substrates of different textures were prepared from a [2 0 0] oriented iron foil by some simple processes. The hematite nanowires on these substrates were synthesized by annealing iron foil at 700 °C in moist oxygen. The growth pattern of nanowires on these substrates showed that the growth of hematite nanowires depends strongly on the iron substrate texture and [1 1 0] oriented iron grains are necessary for their growth. The samples were characterized by Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), X-ray diffraction (XRD), Electron Back Scatter Diffraction (EBSD) and Raman Spectroscopy. We have also tried to explain the various observations on the mechanism of growth. Mainly, the presence of water vapor significantly enhanced the formation of hematite nanowires which resulted in a very dense and aligned growth of nanowires on the substrate areas of favorable texture. Finally, the study proved the substrate texture to be a powerful tool to control growth of nanowires and can be used efficiently for patterning and large scale synthesis of the nanowires.     

Influence of ordering change on the optical and thermal properties of inflation polyethylene films

Changes of thermal diffusivity inside femtosecond laser-structured volumes as small as few percent were reliably determined (with standard deviation less than 1%) with miniaturized sensors. An increase of thermal diffusivity of a crystalline high-density polyethylene (HDPE) inflation films by 10-20% from the measured (1.16 ± 0.01) × 10⁻⁷ m² s⁻¹ value in regions not structured by femtosecond laser pulses is considerably larger than that of non-crystalline polymers, 0-3%. The origin of the change of thermal diffusivity are interplay between the laser induced disordering, voids’ formation, compaction, and changes in molecular orientation. It is shown that laser structuring can be used to modify thermal and optical properties. The birefringence and infrared spectroscopy with thermal imaging of CH₂ vibrations are confirming inter-relation between structural, optical, and thermal properties of the laser-structured crystalline HDPE inflation films. Birefringence modulation as high as Δn ∼ ± 1 × 10⁻³ is achieved with grating structures.     

Solute transport and composition profile during direct metal deposition with coaxial powder injection

Direct metal deposition (DMD) with coaxial powder injection allows fabrication of three-dimensional geometry with rapidly solidified microstructure. During DMD, addition of powder leads to the interaction between laser and powder, and also the redistribution of solute. The concentration distribution of the alloying element is very important for mechanical properties of the deposited clad material. The evolution of concentration distribution of carbon and chromium in the molten pool is simulated using a self-consistent three-dimensional model, based on the solution of the equations of mass, momentum, energy conservation and solute transport in the molten pool. The experimental and calculated molten pool geometry is compared for model validation purposes.     

Preparation and electroactive properties of a PVDF/nano-TiO2 composite film

In the present study, poly(vinylidene fluoride) (PVDF)/nano-TiO₂ electroactive film was prepared by coating a substrate with an acetone/DMF solution, which was evaporated at a high temperature (110 °C). The crystallisation behaviour, dynamic mechanical properties and electroactive properties of this PVDF/nano-TiO₂ electroactive film were investigated. The cross-section and surface of the film were observed with a scanning electron microscope (SEM). X-ray diffraction (XRD) results showed that the film containing the PVDF β phase, the desired ferroelectric phase, was obtained by crystallising the mixed solution of nano-TiO₂ and PVDF at 110 °C, while the film containing the α phase was obtained from the crystallisation of the pure PVDF solution at the same temperature. It was found that the storage modulus, the room-temperature dielectric constant and the electric breakdown strength of the composite films were much higher than those of a pure PVDF film. TiO₂ improved the mechanical properties and electroactive properties of the film. The results indicate that PVDF/nano-TiO₂ composite films can be applied to the fabrication of self-sensing actuator devices.     

Surface charging at the (1 0 0) surface of Cu doped and undoped Li2B4O7

We have compared the photovoltaic charging of the (1 0 0) surface termination for Cu doped and undoped Li₂B₄O₇. While the surface charging at the (1 0 0) surface of Li₂B₄O₇ is significantly greater than observed at (1 1 0) surface, the Cu doping plays a role in reducing the surface photovoltage effects. With Cu doping of Li₂B₄O₇, the surface photovoltaic charging is much diminished at the (1 0 0) surface. The density of states observed with combined photoemission and inverse photoemission remains similar to that observed for the undoped material, except in the vicinity of the conduction band edge.     

The effect of post-annealing on surface acoustic wave devices based on ZnO thin films prepared by magnetron sputtering

Zinc oxide (ZnO) thin films were deposited on unheated silicon substrates via radio frequency (RF) magnetron sputtering, and the post-deposition annealing of the ZnO thin films was performed at 400 °C, 600 °C, 800 °C, and 1000 °C. The characteristics of the thin films were investigated by X-ray diffractometry (XRD), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The films were then used to fabricate surface acoustic wave (SAW) resonators. The effects of post-annealing on the SAW devices are discussed in this work. Resulting in the 600 °C is determined as optimal annealing temperature for SAW devices. At 400 °C, the microvoids exit between the grains yield large root mean square (RMS) surface roughness and higher insertion losses in SAW devices. The highest RMS surface roughness, crack and residual stress cause a reduction of surface velocity (about 40 m/s) and increase dramatically insertion loss at 1000 °C. The SAW devices response becomes very weak at this temperature, the electromechanical coupling coefficient (k²) of ZnO film decrease from 3.8% at 600 °C to 1.49% at 1000 °C.     

Study of nickel silicide formation on Si(1 1 0) substrate

Nickel silicide formation on Si(1 1 0) and Si(1 0 0) substrate was investigated in this paper. It is confirmed that nickel monosilicide (NiSi) starts to form after 450 °C annealing for Si(1 0 0) substrate, but a higher annealing temperature is required for NiSi formation on Si(1 1 0) substrate, which is demonstrated by X-ray diffraction (XRD) and Raman scattering spectroscopy. The higher formation temperature of NiSi is attributed to the larger Ni₂Si grain size formed on Si(1 1 0) substrate. Ni silicided Schottky contacts on both Si(1 0 0) and Si(1 1 0) substrates were also fabricated for electrical characteristics evaluation. It clearly reveals that the rectifying characteristics of NiSi/n-Si(1 1 0) Schottky contacts is inferior to that of NiSi/n-Si(1 0 0) Schottky contacts, which is attributed to a lower Schottky barrier height and a rougher contact interface. The formation kinetics for nickel silicide on Si(1 1 0) substrate is also discussed in this paper.     

螺桨烷型分子BX[(CH_2)_n]_3和BX(CH_2)[CH(CH_2)_nCH](X=N,P)的结构和性质

采用密度泛函理论(DFT)研究了螺桨烷型分子BX[(CH2)n]3和BX(CH2)[CH(CH2)n CH](X=N,P;n=1-6)的结构、稳定性、化学键和电子光谱性质.计算结果表明这些分子都是稳定的.BX[(CH2)n]3(X=N,P;n=1-6)的最高占据分子轨道(HOMO)和最低空分子轨道(LUMO)之间的能隙均大于5.20 eV,其中BN[CH2]3和BP[CH2]3的能隙超过7.0 eV,与C5H6的能隙(7.27 eV)很接近,BX(CH2)[CH(CH2)n CH](X=N,P;n=1-6)的能隙在6.80 eV左右.所研究分子能量的二阶差分表明BN[(CH2)3]3、BP[(CH2)4]3及BX(CH2)[CH(CH2)2CH](X=N,P)是最稳定的.BX[(CH2)n]3的Wiberg键级表明除了BN[(CH2)n]3(n=2和6)中不存在B―N键,其它化合物中B和N均形成了化学键,BP[(CH2)n]3中除了BP[(CH2)2]3不存在B―P键,其它的均存在.电子密度的拓扑分析表明N―B键属于离子键,而P―B键具有共价键特征.BX[(CH2)n]3(X=N,P)的第一垂直激发能分别在191.1-284.8 nm和191.8-270.1 nm之间,BX(CH2)[CH(CH2)n CH](X=N,P)的第一垂直激发能分别在190.5-199.7 nm和209.0-221.3 nm之间.