Quantum mechanical aspect of first order phase transition of crystals

Classical molecular dynamics and Metropolis Monte Carlo simulations were carried out to investigate the thermal stability and melting behaviors of free-standing Pd-Pt bimetallic nanowires (NWs) with pentagonal multi-shell-type (PMS-type) structure in the whole composition range. Equilibrium configurations at 100 K are predicted in the semi-grand canonical ensemble. Pd-Pt PMS-type NWs are stable with a multishell structure of alternating Pd and Pt compositions and Pd segregating systematically to the surface. On thermal heating, an interesting composition-dependent structural transformation from the PMS-type to face-centred-cubic (FCC) by overcoming a high energy barrier is observed for Pd-Pt bimetallic NWs before the melting. Consequently, the system energy is decreased. The FCC structure is found more stable than PMS-type over the whole range of composition. The melting of Pd-Pt bimetallic NWs is also studied. It is found to start at the edges, then propagate over the whole surface, and next to the interior. It occurs in a composition-dependent range of temperature.     

Effect of surface layer thickness on buckling and vibration of nonlocal nanowires

In this Letter, the buckling and vibration behavior of nonlocal nanowires by incorporating surface elasticity is investigated. A modified core–shell model is developed to depict the size effect of Youngʼs modulus and validated by the reported experimental data. Our results show that the buckling load and natural frequency of nanowires increase when the effect of surface layer thickness is taken into account. Moreover, as the diameter of nanowires is smaller than 50 nm, the influence of surface layer thickness becomes obvious. This work can be helpful in characterizing and predicting the buckling and vibration behavior of NWs.     

Scale effects on thermal buckling properties of carbon nanotube

In this Letter, the thermal buckling properties of carbon nanotube with small scale effects are studied. Based on the nonlocal continuum theory and the Timoshenko beam model, the governing equation is derived and the nondimensional critical buckling temperature is presented. The influences of the scale coefficients, the ratio of the length to the diameter, the transverse shear deformation and rotary inertia are discussed. It can be observed that the small scale effects are significant and should be considered for thermal analysis of carbon nanotube. The nondimensional critical buckling temperature becomes higher with the ratio of length to diameter increasing. Furthermore, for smaller ratios of the length to the diameter and higher mode numbers, the transverse shear deformation and rotary inertia have remarkable influences on the thermal buckling behaviors.     

Vibration analysis of piezoelectric nanowires with surface and small scale effects

An analytical model for predicting surface effects on the free transverse vibrations of piezoelectric nanowires (NWs) is developed based on the non-local Euler-Bernoulli beam theory. The governing equation of motion for the piezoelectric NW with consideration of both surface and non-local effects is initially obtained, and the exact expressions for the natural frequencies and the fundamental buckling voltage are derived for simple support conditions. In addition, an explicit relationship between the residual surface tension and the small scale parameter of the piezoelectric NW, in terms of the critical electric potential at which the axial buckling occurs, is offered. Accordingly, a design chart is presented which may assist in experimental characterization of the mechanical properties of piezoelectric NW-based devices.     

金辅助催化方法制备GaAs和GaAs/InGaAs纳米线结构的形貌表征及生长机理研究

利用金（Au）辅助催化的方法,通过金属有机化学气相沉积技术制备了GaAs纳米线及GaAs/InGaAs纳米线异质结构.通过对扫描电子显微镜（SEM）测试结果分析,发现温度会改变纳米线的生长机理,进而影响形貌特征.在GaAs纳米线的基础上制备了高质量的纳米线轴、径向异质结构,并对生长机理进行分析.SEM测试显示,GaAs/InGaAs异质结构呈现明显的“柱状”形貌与衬底垂直,InGaAs与GaAs段之间的界面清晰可见.通过X射线能谱对异质结样品进行了线分析,结果表明在GaAs/InGaAs轴向纳米线异质结构样品中,未发现明显的径向生长.从生长机理出发分析了在GaAs/InGaAs径向纳米线结构制备过程中伴随有少许轴向生长的现象.     

Phonon focusing and temperature dependences of the thermal conductivity of silicon nanowires

The influence of phonon focusing on the anisotropy and temperature dependences of the thermal conductivity of silicon nanowires (NWs) has been studied using the three-mode Callaway theory. The calculated temperature dependences of the thermal conductivity of silicon NWs with diameters above 50 nm agree well with experimental data in the 20–300 K range. The temperatures of transitions from the boundary-scattering to volume-relaxation mechanisms are determined. Variation of the thermal conductivity anisotropy depending on temperature is analyzed. The free paths of phonons with various polarizations in the boundary scattering regime in silicon NWs significantly differ and depend to a considerable degree on the phonon focusing. The free paths reach maxima in the directions of phonon focusing and exceed values for other oscillatory modes. However, in the isotropic medium model, the phonon free paths for various polarizations coincide and are fully determined by the geometric parameters of NWs.     

Bright blue emission from Te-doped ZnS nanowires

Optical properties of Te-doped ZnS (ZnS:Te) nanowires (NWs) synthesized by a thermal chemical vapor deposition method were investigated by cathodeluminescence and photoluminescence (PL) measurements. ZnS:Te NWs exhibit the blue emission with the maximum peak at ∼440 nm at room temperature. We calculated Te-induced states on the valence band and conduction band in ZnS bulk crystal compared with PL peaks of ZnS:Te NWs. Temperature-dependent PL indicated that the activation energy of electron confined in ZnS:Te NWs is 85 meV. Blue light-emitting dot matrix displays were also fabricated using ZnS:Te NWs. This result suggested that ZnS:Te NWs could be applied as a blue-color-emitter on display devices.     

Preparation of silver nanoparticles on zinc oxide nanowires by photocatalytic reduction for use in surface‐enhanced Raman scattering measurements

To increase the sensitivity in surface‐enhanced Raman scattering (SERS) measurements, the high surface area of zinc oxide nanowires (ZnO NWs) was used. ZnO NWs on silicon substrates were prepared and used as substrates for further growth of silver nanoparticles (AgNPs). Ultraviolet (UV) irradiation was used to reduce silver ions to AgNPs on the ZnO wires. With proper growth conditions for both ZnO NWs and AgNPs, the substrates exhibit SERS enhancement factors greater than 10⁶. To understand the influences of the morphologies of the ZnO NWs on the growth of AgNPs, the growing time and temperature were varied. The concentration of silver nitrate and irradiation time of UV radiation were also varied. The resulting AgNPs were probed with para‐nitrothiophenol to quantify the SERS enhancements obtained from the varying conditions. The results indicate that ZnO NWs could be grown at temperatures higher than 490 °C and higher growth temperatures result in smaller diameter of the formed ZnO NWs. Also, the morphologies of ZnO NWs did not significantly alter the SERS signals. The concentration of silver nitrate affects the SERS signals significantly and the optimal concentration was found to be in the range of 10–20 mM. With irradiation times longer than 90 s, the resulting AgNPs showed similar SERS intensities. With optimized conditions, the AgNPs/ZnO substrates are highly suitable for SERS measurements with a typical enhancement factor of higher than 10⁶. Copyright © 2010 John Wiley & Sons, Ltd.     

氧化锌纳米线的场发射

热蒸发法在硅基底上制备了任意取向的氧化锌纳米线阵列。经过热蒸发过程，硅基底表面覆盖了大量均匀分布的氧化锌岛，在这些岛上生长出了直径为几十纳米的非定向纳米线。出于实用考虑，基底周围的温度在制备过程中保持在500°C以下。从这些氧化锌纳米线获得了场发射。测得10μA/cm2所对应的开启场强为3.0V/μm。并且用透明阳极技术研究了发射中心分布。观察到场发射来自于整个样品表面。从这些结果可以看出氧化锌纳米线在平板显示器中有着巨大的应用潜力.     

Mechanical and fracture behaviors of defective silicon nanowires: combined effects of vacancy clusters,temperature, wire size,and shape

Abstract The coupled effects of vacancy clusters (VCs), temperature, wire size, and geometry on the mechanical and fracture behaviors of defective silicon nanowires (Si NWs) were investigated using molecular dynamics modeling with Tersoff potential. The formation energies (E _v ) of a monovacancy (3.933 eV) and a tetrahedron vacancy (10.189 eV) obtained in this study agree well with experimental results and ab initio calculation. Simulation results show that the slip deformations of defective Si NWs are triggered at the wire’s surface and edge due to the number of dangling bonds on the wire’s surface being much greater than that inside a vacancy defect. VC defects barely affect to the value of Young’s modulus, but substantially weaken the ultimate strength of wires with a small cross-sectional size. With decreasing wire size and increasing operation temperature, significant reductions in Young’s modulus and fracture strength were observed. The average Young’s modulus for square NWs was about 3.7 % higher than that of wires with a circular shape due to the surface facet effect. A brittle-to-ductile transition (BDT) occurred for [001]-oriented Si NWs with a lateral size≤5.43 nm and an operation temperature T≥300 K.     

Study of the temperature distribution in Si nanowires under microscopic laser beam excitation

The use of laser beams as excitation sources for the characterization of semiconductor nanowires (NWs) is largely extended. Raman spectroscopy and photoluminescence (PL) are currently applied to the study of NWs. However, NWs are systems with poor thermal conductivity and poor heat dissipation, which result in unintentional heating under the excitation with a focused laser beam with microscopic size, as those usually used in microRaman and microPL experiments. On the other hand, the NWs have subwavelength diameter, which changes the optical absorption with respect to the absorption in bulk materials. Furthermore, the NW diameter is smaller than the laser beam spot, which means that the optical power absorbed by the NW depends on its position inside the laser beam spot. A detailed analysis of the interaction between a microscopic focused laser beam and semiconductor NWs is necessary for the understanding of the experiments involving laser beam excitation of NWs. We present in this work a numerical analysis of the thermal transport in Si NWs, where the heat source is the laser energy locally absorbed by the NW. This analysis takes account of the optical absorption, the thermal conductivity, the dimensions, diameter and length of the NWs, and the immersion medium. Both free standing and heat-sunk NWs are considered. Also, the temperature distribution in ensembles of NWs is discussed. This analysis intends to constitute a tool for the understanding of the thermal phenomena induced by laser beams in semiconductor NWs.     

Damping in micro-scale generalized thermoelastic circular plate resonators

The out-of-plane vibrations of a generalized thermoelastic circular plate are studied under different environmental temperature, plate dimensions and boundary conditions. The analytical expressions for thermoelastic damping of vibration and phase velocity of circumferential surface wave modes are obtained. It is noticed that the damping of vibrations and phase velocities of circumferential surface wave modes significantly depend on thermal relaxation time in addition to thermoelastic coupling in circular plates under resonance conditions. The surface conditions also impose significant effects on the vibrations of such resonators. The expressions for displacement and temperature fields in the plate resonator are also derived and obtained. Some numerical results have also been presented for illustration purpose in case of silicon material plate.     

Reduction of hexavalent chromium with colloidal and supported palladium nanocatalysts

Zinc oxide (ZnO) nanowires (NWs) are exposed to energetic proton (H⁺), nitrogen (N⁺), phosphorus (P⁺), and argon (Ar⁺) ions to understand the radiation hardness and structural changes induced by these irradiations. High-resolution transmission electron microscopy is utilized to see the irradiation effects in NWs. Multiple doses and energies of radiation at different temperatures are used for different set of samples. The study reveals that wurtzite (crystalline)-structured ZnO NWs experience amorphization, degradation, and morphological changes after the irradiation. At room temperature, deterioration of the crystalline structure is observed under high fluence of H⁺, N⁺, and P⁺ ions. While for ZnO NWs, bombarded by Ar⁺ and P⁺ ions, nano-holes are produced. The ZnO NWs surfaces also show corrugated morphology full of nano-humps when irradiated by Ar⁺ ions at 400 °C. The corrugated surface could serve as tight-holding interface when interconnecting it with other NWs/nanotubes. These nano-humps may have the function of increasing the surface for surface-oriented sensing applications in the future.     

Hybrid solar cells with conducting polymers and vertically aligned silicon nanowire arrays: The effect of silicon conductivity

Organic/inorganic hybrid solar cells, based on vertically aligned n-type silicon nanowires (n-Si NWs) and p-type conducting polymers (PEDOT:PSS), were investigated as a function of Si conductivity. The n-Si NWs were easily prepared from the n-Si wafer by employing a silver nanodot-mediated micro-electrochemical redox reaction. This investigation shows that the photocurrent-to-voltage characteristics of the n-Si NW/PEDOT:PSS cells clearly exhibit a stable rectifying diode behavior. The increase in current density and fill factor using high conductive silicon is attributed to an improved charge transport towards the electrodes achieved by lowering the device's series resistance. Our results also show that the surface area of the nanowire that can form heterojunction domains significantly influences the device performance.     

Surface enhanced strong visible photoluminescence from one-dimensional multiferroic BiFeO3 nanostructures

The surface defect dominated visible emission from one-dimensional multiferroic BiFeO₃ (BFO) nanowires (NWs) is characterized by photoluminescence (PL) spectroscopy. The PL spectra of BFO NWs exhibit a weak near band emission (NBE) along with a strong defect-level emission (DLE). It is suggested that excess surface defects exist in BFO NWs which are responsible for strong visible green emission. Passivation of BFO NW surface with H₂ significantly improves the NBE emission while suppressing surface recombination. Such a surface enhanced emission promises many potential applications of BFO NWs not only in photonic devices such as LEDs but also in fluorescence-based chemical sensing.     

A convenient method to determine the bulk modulus of nanowires and its temperature dependence based on X-ray diffraction measurement

The bulk modulus of nanowires (NWs) and its temperature dependence were determined by a simple and convenient method based on temperature-dependent X-ray diffraction (XRD) measurement. It was found that the bulk moduli for Ni, Cu, and Ag NWs were much higher than that for their counterpart bulk materials in the temperature range from 25 °C to 800 °C and the influence of temperature on the bulk modulus for NWs was stronger than that for their counterpart bulk materials. A surface bond contraction model and the force–interatomic-distance curves were introduced to explain the experimental results.     

Synthesis and photoluminescence of aligned straight silica nanowires on Si substrate

Aligned straight silica nanowires (NWs) have been synthesized on Si wafer by thermal evaporation of mixed powders of zinc carbonate hydroxide and graphite at 1100 °C and condensation on Si substrate without using any catalyst. The straight silica NWs have diameters ranging from 50 to 100 nm, and lengths of several micrometers, with cone-shaped tips at their ends. High deposition temperature and relatively high SiO_x vapor concentration near the growth substrate would be beneficial to the formation of the aligned straight silica NWs. Different morphologies of silica nanostructures have also been obtained by varying the deposition temperature and the vapor concentration of the SiO_x molecules. Room temperature photoluminescence measurements on the oriented silica NWs show that two green emission bands at 510 and 560 nm, respectively, revealing that the aligned straight silica NWs might have potential applications in the future optoelectronic devices.     

Near-field thermoelastic imaging coupled with infrared detection

Near-field thermoelastic imaging is a simple way to investigate the thermal and coupled thermoelastic properties of materials. A few microscopes, deriving from the atomic force microscope, have been used to observe and to quantify the samples observed. But the main problem is the absolute measurement of the temperature, because surface topography and thermal expansion contributions are not easily discernible. In the proposed SThEM (scanning thermoelastic microscope), the tip is excited at the resonance frequency of the cantilever and the sample is periodically heated by the Joule effect. Thus the static contributions (drift, topography) are reduced. Moreover, a radiometric sensor, operating in the far field, has been added in order to quantify the temperature. This multi-acquisition microscope enables one to investigate small objects at the nanoscale with complementary information at the micrometric scale.     

Raman spectrum of Si nanowires: temperature and phonon confinement effects

The Raman spectrum of Si nanowires (NWs) is a matter of controversy. Usually, the one-phonon band appears broadened and shifted. This behaviour is interpreted in terms of phonon confinement; however, similar effects are observed for NWs with dimensions for which phonon confinement does not play any relevant role. In this context, the temperature increase induced by the laser beam is recognized to play a capital role in the shape of the spectrum. The analysis of the Raman spectrum, under the influence of the heating induced by the laser beam, is strongly dependent on the excitation conditions and the properties of the NWs. We present herein an analysis of the Raman spectrum of Si NWs based on a study of the interaction between the laser beam and the NWs, for both ensembles of NWs and individual NWs, taking account of the temperature increase in the NWs under the focused laser beam and the dimensions of the NWs.     

Thermal buckling and natural vibration of the beam with an axial stick–slip–stop boundary

As a first attempt to study the dynamics of a heated structure with complicated boundaries, this paper deals with the thermal buckling and the natural vibration of a simply supported slender beam, which is subject to a uniformly distributed heating and has a frictional sliding end within a clearance. This sliding end is initially at a stick status under the friction force, but may be slightly slipping due to the thermal expansion of the beam until the sliding end contacts a stop, i.e., the bound of the clearance. The material properties of the beam are temperature-independent for low temperature, but temperature-dependent for high temperature. For each case, the analytic solutions for the critical buckling temperature and the natural frequencies of the heated beam are derived first. Then, discussions are made to reveal the effects of beam parameters, such as the ratio of beam length to beam thickness, the ratio of clearance to beam length and the temperature-dependent material properties, on the critical buckling temperature and the fundamental natural frequency of the heated beam. The study shows that both friction force and clearance have significant influences on the critical buckling temperature and the fundamental natural frequency of the beam. When the friction force is not very large, the clearance can greatly increase the critical buckling temperature. These conclusions enable one to properly design the stick–slip–stop boundary so as to improve the mechanical performance of the beam in thermal environments.