Dynamics of hydrogen in hydrogenated amorphous silicon

The problem of hydrogen diffusion in hydrogenated amorphous silicon (a-Si:H) is studied semiclassically. It is found that the local hydrogen concentration fluctuations-induced extra potential wells, if intense enough, lead to the localized electronic states in a-Si:H. These localized states are metastable. The trapping of electrons and holes in these states leads to the electrical degradation of the material. These states also act as recombination centers for photo-generated carriers (electrons and holes) which in turn may excite a hydrogen atom from a nearby Si-H bond and breaks the weak (strained) Si-Si bond thereby apparently enhancing the hydrogen diffusion and increasing the light-induced dangling bonds.     

Effects of high hydrogen dilution ratio on optical properties of hydrogenated nanocrystalline silicon thin films

Hydrogenated nanocrystalline silicon thin films were prepared by plasma enhanced vapor deposition technique. In our experiment, hydrogen dilution ratio R_H was changed mainly, while the other parameters, such as the radio frequency power, the direct current bias value, the chamber pressure, the total gas flow and the substrate temperature were kept constant. The film's surface topography was gained by AFM. The chemical bond was confirmed by Fourier transform infrared spectra. The optical properties were characterized by transmission spectra. To consider absorption peak of stretching vibration mode of SiH₃ at 2140 cm⁻¹ and to reduce the calculation error, a hydrogen content calculation method was proposed. Effects of hydrogen dilution ratio on the deposition rate v and hydrogen content C_H were investigated. The bonding mode and the force constants k of chemical bond, the structural factor f in films were changed by high hydrogen dilution ratio, which gave rise to the shift of absorption peak of infrared stretching mode and the decrease of optical band gap E_g.     

Photoluminescence analyses of hydrogenated amorphous silicon nitride thin films

Silicon-rich hydrogenated amorphous silicon nitride (a-SiN_x:H) films were grown by plasma enhanced chemical vapor deposition (PECVD) with different r=NH₃/SiH₄ gas flow ratios. The optical absorption characteristics were analyzed by Fourier transform infrared (FTIR) and UV-visible transmittance spectroscopies. The recombination properties were investigated via photoluminescence (PL) measurements. As r was increased from 2 to 9, the PL emission color could be adjusted from red to blue with the emission intensity high enough to be perceived by naked eye at room temperature. The behaviors of the PL peak energy and the PL band broadness with respect to the optical constants were discussed in the frame of electron-phonon coupling and band tail recombination models. A semiquantitative analysis supported the band tail recombination model, where the recombination was found to be favored when the carriers thermalize to an energy level at which the band tail density of states (DOS) reduces to some fraction of the relevant band edge DOS. For the PL efficiency comparison of the samples with different nitrogen contents, the PL intensity was corrected for the absorbed intensity fraction of the incident PL excitation source. The resulted correlation between the PL efficiency and the subgap absorption tail width further supported the band tail recombination model.     

Spectral variations in the optical transition matrix element and their impact on the optical properties associated with hydrogenated amorphous silicon

Using an empirical model for the density of states functions associated with hydrogenated amorphous silicon, in conjunction with an elementary model for the optical transition matrix elements, we aim to explore how variations in the matrix elements impact upon the spectral dependence of the optical properties associated with this material. We also wish to ascertain as to whether or not the hydrogenated amorphous silicon mobility gap result suggested by Jackson et al. [W.B. Jackson, S.M. Kelso, C.C. Tsai, J.W. Allen, S.-J. Oh, Phys. Rev. B 31 (1985) 5187] is consistent with the results of the experiment. We find that the mobility gap value suggested by Jackson et al. is too large. An upper bound on the mobility gap associated with hydrogenated amorphous silicon of 1.68 eV is suggested instead. Electrical measurements performed on undoped hydrogenated amorphous silicon yield a mobility gap value that is consistent with this bound.     

Influence of the deposition parameters on the transition region of hydrogenated silicon films growth

Hydrogenated microcrystalline and amorphous silicon thin films were prepared by very high frequency plasmaenhanced chemical vapour deposition （VHF PECVD） by using a mixture of silane and hydrogen as source gas. The influence of deposition parameters on the transition region of hydrogenated silicon films growth was investigated by varying the silane concentration （SC）, plasma power （Pw）, working pressure （P）, and substrate temperature （Ts）. Results suggest that SC and Ts are the most critical factors that affect the film structure transition from microcrystalline to amorphous phase. A narrow region in the range of SC and Ts, in which the rapid phase transition takes place, was identified. It was found that at lower P or higher Pw, the transition region is shifted to larger SC. In addition, the dark conductivity and photoconductivity decrease with SC and show sharp changes in the transition region. It proposed that the transition process and the transition region are determined by the competition between the etching effect of atomic hydrogen and the growth of amorphous phase.     

Ultrafast carrier dynamics in wide gap hydrogenated amorphous silicon

We report on picosecond and femtosecond pump and probe measurements of the dynamics of photoexcited carriers in wide gap a-Si : H prepared by microwave electron–cyclotron resonance plasma-enhanced chemical-vapour-deposition. We interpret the picosecond dynamics of transient absorption under strong picosecond excitation in terms of a bimolecular recombination process with the rate constant B≈5×10⁻¹⁰ cm³ s⁻¹, followed by a slower nanosecond decay. In the femtosecond measurements, we observed an initial decay with effective time constant ≈20 ps. We have not found any change in the picosecond dynamics when tuning the excitation wavelength through photoluminescence (PL) excitation spectrum profile. The ultrafast dynamics do not differ in the samples with PL efficiency differing in more than one order of magnitude, and they agree well with those in standard a-Si : H.     

Electric field-induced unzipping of hydrogenated carbon nanotubes into graphene nanoribbons

We have investigated the electric field effect on horseshoe-shape carbon nanotubes (CNTs) resulting from hydrogen adsorption on the single-wall armchair (n,n)CNTs with 6 ≤ n ≤ 16 by using the density functional theory calculations. The horseshoe-shape CNT is completely unzipped into a graphene nanoribbon upon applying a critical electric field, which decreases with increasing CNT diameter, thus enabling one to select a nanoribbon width. A simple model based on the tensile force exerted on the tube walls by the applied electric field was introduced to understand the CNT-diameter dependence of the critical field.     

Structure and magnetic properties of FeCo nanoparticles encapsulated in carbon nanotubes grown by microwave plasma enhanced chemical vapor deposition

Plasma enhanced chemical vapor deposition is a simple technique for preparing magnetic nanoparticles encapsulated in carbon nanotubes. We employed alloy catalysts when growing carbon nanotubes to control the composition and magnetic properties of encapsulated nanoparticles. Single-crystal nanoparticles were successfully encapsulated in carbon nanotubes, and their crystal structure varied depending on the composition of the alloy catalysts. The coercive force of nanoparticles also varied according to the composition of the catalysts.     

The role that conduction band tail states play in determining the optical response of hydrogenated amorphous silicon

We aim to explore the role that conduction band tail states play in shaping the optical response of hydrogenated amorphous silicon. We do so within the framework of an empirical model for the valence band and conduction band density of states functions, one that considers valence band band, valence band tail, conduction band band, and conduction band tail states. We examine the sensitivity of the joint density of states function to variations in the conduction band tail breadth, all other parameters being held fixed at their nominal hydrogenated amorphous silicon values. We find that when the conduction band tail is narrower than the valence band tail, its role in shaping the corresponding spectral dependence of the joint density of states function is relatively minor. This justifies the use of a simplified empirical model for the density of states functions that neglects the presence of the conduction band tail states in the characterization of the optical response of this material. Experimental data corresponding to hydrogenated amorphous silicon, demonstrating that the conduction band tail breadth is always less than the valence band tail breadth for this material, is then presented. Finally, fundamental reasons for the observed asymmetry in the band tail breadths are reviewed.     

Room-temperature electroluminescence from erbium-doped amorphous hydrogenated silicon

We have studied electroluminescence (EL) in the amorphous silicon-based erbium-doped structures under reverse bias in the temperature range 77–300 K. The intensity of electroluminescence at the wavelength of 1.54 μm exhibits a maximum near the room temperature. The excitation of erbium ions occurs by an Auger process which involves the capture of conduction electrons by neutral dangling bonds (D⁰-centers) located close to erbium ions. The stationary current through the structure is kept by a reverse process of thermally activated tunnel emission of electrons from negatively charged dangling-bond defects (D⁻-centers) to the conduction band of the amorphous matrix. A theoretical model proposed explains consistently all of our experimental data.     

Energy and force between two magnetic nanotubes

The interaction energy and force between two parallel thin magnetic nanotubes is calculated using four different approaches. Although they agree for separation distances over 10 times the radius of any tube, some differences appear for shorter distances. Two exact methods giving identical results face handling difficulties in comparison with an approximate method based on a truncated expansion which produces fair enough results for distances to be found in the range of interest. Numerical calculations are done for cobalt particles of dimensions corresponding to nanotubes already manufactured and with properties reported in the literature. The force between two identical and parallel Co nanotubes , separated by a distance of 300 nm is of the order of few microdynes.     

Research on the optimum hydrogenated silicon thin films for application in solar cells

Hydrogenated silicon (Si:H) thin films for application in solar cells were deposited by using very high frequency plasma enhanced chemical vapour deposition (VHF PECVD) at a substrate temperature of about 170℃. The electrical, structural, and optical properties of the films were investigated. The deposited films were then applied as i-layers for p-i-n single junction solar cells. The current--voltage (I-V) characteristics of the cells were measured before and after the light soaking. The results suggest that the films deposited near the transition region have an optimum properties for application in solar cells. The cell with an i-layer prepared near the transition region shows the best stable performance.     

反位缺陷对碳化硅纳米管电子结构和光学性质影响研究

采用基于密度泛函理论的第一性原理计算对含有反位缺陷（5,5）单壁碳化硅纳米管的电子结构和光学性质进行了研究.纳米管进行结构优化的结果显示,C_Si缺陷在纳米管表面形成了凹陷,Si_C缺陷形成了凸起;反位缺陷在纳米管的导带底附近形成了缺陷能级,使纳米管表现出n型导电的特点,由价带顶到缺陷能级的跃迁,在垂直和平行于纳米管管轴方向上形成了新的介电峰.     

Preferred orientations of encapsulated C60 molecules inside single wall carbon nanotubes

A systematical study of the orientational behavior of C60 molecules in single wall carbon nanotubes (SWCNTs) with different chirality and diameter has been performed by using a model of an infinite long nanotube filled with two C60 (denoted as C60-1 and C60-2) molecules. We studied the preferred orientation of the C60-1 molecule when the neighboring C60-2 molecule was fixed at the pentagon, double-bond, and hexagon orientations respectively. Our results showed that the C60-1 molecule prefers the pentagon (hexagon) orientation when the tube diameter is smaller (larger) than 1.31nm (1.36nm). For the tube diameter in between, the preferred molecular orientation of C60-1 changes from pentagon to hexagon with the increasing tube diameter when the neighboring C60-2 molecule is fixed at the pentagon or double-bond orientation. A novel vertex orientation for the C60-1 molecule has been found when the C60-2 molecule is fixed at the hexagon orientation.     

Magnetic study of iron-containing carbon nanotubes: Feasibility for magnetic hyperthermia

We present a detailed magnetic study of iron containing carbon nanotubes (Fe-CNT), which highlights their potential for contactless magnetic heating in hyperthermia cancer treatment. Magnetic field dependent AC inductive heating experiments on Fe-CNT dispersions show a substantial temperature increase of Fe-CNT dispersions in applied AC magnetic fields. DC and AC magnetization studies have been done in order to elucidate the heating mechanism. We observe a different magnetic response of Fe-CNT powder compared to Fe-CNT dispersed in aqueous solution, e.g., ferromagnetic Fe-CNT in powder do not show any hysteresis when being dispersed in liquid. Our data indicate the motion of Fe-CNT in liquid in applied magnetic fields.     

Iron oxide nanoparticles and VOx/Hexadecylamine nanotubes composite

In this work, we present the synthesis and characterization of a hybrid nanocomposite constituted by iron oxide nanoparticles and vanadium oxide/Hexadecylamine (VO_x/Hexa) nanotubes. Transmission Electron Microscopy (TEM) images show small particles (around 20 nm) in contact with the external wall of the multiwall tubes, which consist of alternate layers of VO_x and Hexa. By Energy Dispersive Spectroscopy (EDS), we detected iron ions within the tube walls and we have also established that the nanoparticles are composed of segregated iron oxide. The samples were studied by Electron Paramagnetic Resonances (EPR) and dc-magnetization as a function of the magnetic field. The analysis of the magnetization and EPR data confirms that a fraction of the V atoms are in the V⁴⁺ electronic state and that the nanoparticles exhibit a superparamagnetic behavior. The percentage of V and Fe present in the nanocomposite was determined using Instrumental Neutron Activation Analysis (INAA).     

Morphology, mechanical, cross-linking, thermal, and tribological properties of nitrile and hydrogenated nitrile rubber/multi-walled carbon nanotubes composites prepared by melt compounding: The effect of acrylonitrile content and hydrogenation

The purpose of this work was to prepare nanocomposites by mixing multi-walled carbon nanotubes (MWCNT) with nitrile and hydrogenated nitrile elastomers (NBR and HNBR). Utilization of transmission electronic microscopy (TEM), scanning electron microscopy (SEM), and small- and wide-angle X-ray scattering techniques (SAXS and WAXS) for advanced morphology observation of conducting filler-reinforced nitrile and hydrogenated nitrile rubber composites is reported. Principal results were increases in hardness (maximally 97 Shore, type A), elastic modulus (maximally 981 MPa), tensile strength (maximally 27.7 MPa), elongation at break (maximally 216%), cross-link density (maximally 7.94 × 10²⁸ m⁻³), density (maximally 1.16 g cm⁻³), and tear strength (11.2 kN m⁻¹), which were clearly visible at particular acrylonitrile contents both for unhydrogenated and hydrogenated polymers due to enhanced distribution of carbon nanotubes (CNT) and their aggregated particles in the applied rubber matrix. Conclusion was that multi-walled carbon nanotubes improved the performance of nitrile and hydrogenated nitrile rubber nanocomposites prepared by melt compounding.     

Domain walls confined in magnetic nanotubes with uniaxial anisotropy

We present calculations of the different domain wall structures confined in magnetic nanotubes, such as transverse wall, asymmetric vortex wall, branch fashion wall, and horse-saddle wall. The wall structures were calculated by micromagnetic simulations. The tube radii R=50 nm and 100 nm, and aspect ratios length/radius L/R≤15 were considered. The magnetic phase diagrams of the stability of different kinds of the domain walls were plotted as function of the tube aspect ratio L/R and the tube thickness (difference of the outer and inner tube radii).     

Preparation of non-oriented silicon steel with high magnetic induction using columnar grains

Columnar grains can lead to detrimental surface ridging and an inhomogeneous microstructure, although their {1 0 0}〈0 v w〉 texture is considered desirable due to their good magnetic properties in non-oriented silicon steel. Based on the hereditary tendency of {1 0 0}〈0 v w〉 texture, the effects of lubrication and heating rate on texture and on final magnetic properties were investigated using a cast slab containing 100% columnar grains. Hot rolling with lubrication, normalization at low heating rate, two-stage cold rolling, and final annealing at 1000 °C helped achieve high performance. As a result, a new non-oriented silicon steel with high magnetic induction (B₅₀=1.82 T) and low core loss (P_1.5=2.35 W/kg) was prepared. The possibility of further performance optimization was also discussed.     

Influence of temperature-pressure treatment on heavily hydrogenated silicon surface

Microstructure and related properties of hydrogenated silicon samples, Si:H, treated at high-temperature (HT) up to 1270 K under hydrostatic argon pressure (HP) up to 1.1 GPa are investigated. To prepare Si:H, Czochralski grown 0 0 1 oriented single crystalline Si wafer with 50 nm thick surface SiO₂ layer was heavily implanted with hydrogen using the immersion plasma source of hydrogen ions with energy 24 keV.The surface of HT-HP treated Si:H was characterised by scanning electron microscopy. Reflectivity pattern measurements in the wavelength range of 350-2000 nm have been performed to analyse their surface and bulk properties. The volume averaging method for a model of layer-like structure has been used to simulate the HT-HP treated Si:H. The analysis of Si:H samples suggests the multi-layer structure composed of Si, Si:H, SiO, SiO₂, and of porous Si layers in the sub-surface region. The porous Si:H samples model is in good consistency with experimental data from reflectance measurements.