Single-Walled Carbon Nanotubes Acting as Controllable Transport Channels

The motion and equilibrium distribution of water molecules adsorbed inside neutral and negatively charged singlewalled carbon nanotubes (SWNTs) have been studied using molecular dynamics simulations (MDSs) at room temperature based on CHARMM (Chemistry at HARvard Molecular Mechanics) potential parameters. We find that water molecules have a conspicuous electropism phenomenon and regular tubule patterns inside and outside the charged tube wall. The analyses of the motion behaviour of water molecules in the radial and axial directions show that by charging the SWNT, the adsorption efficiency is greatly enhanced, and the electric field produced by the charged SWNTs prevents water molecules from flowing out of the nanotube. However, water molecules can travel through the neutral SWNT in a fluctuating manner. This indicates that by electrically charging and uncharging the SWNTs, one can control the adsorption and transport behaviour of polar molecules in SWNTs for using as a stable storage medium or long transport channels. The transport velocity can be tailored by changing the charge on the SWNTs, which may have a further application as modulatable transport channels.     

Heating of Nanosized Liquid Water in High-Intensity Terahertz Pulses

Non-equilibrium molecular dynamics simulations of liquid water in picosecond high-power terahertz pulses are performed by using a non-polarizable potential model.Numerical results show that the energy absorption of water molecules exhibits a pronounced resonance with THz pulses in the frequency range of 14-17 THz.With the THz pulse at resonant frequencies,the maximum temperature is about 562 K by heating the water at room temperature.Further investigation indicates that the results are independent of the size of the nanoscale water box.The efficiency of energy transfer by resonant absorption is more than seven times of microwave heating.These studies show promising applications of ultrashort THz pulses.     

Polarization independent broadband terahertz antireflection by deep‐subwavelength thin metallic mesh

Broadband antireflection coatings for passive terahertz (THz) components are extremely important in the application of THz technology. Metallic nano‐films are commonly used for this purpose. Here a new approach to realize polarization independent broadband antireflection in THz range, based on a meta‐surface design is experimentally demonstrated. The internal reflection of a broadband THz pulse (spectral bandwidth of 0.06 – 4 THz) at a Si/air interface can be fully suppressed with a Cr square mesh with deep‐subwavelength dimensions. Small nonuniformity of the meta‐surface structure can enhance the tolerance on structural parameters for achieving the AR condition. The design concept is applicable to other metals and frequency ranges as well, which opens a new window for future AR coatings.     

Modeling of size and shape dependent band gap,dielectric constant and phonon frequency of semiconductor nanosolids

A bond theory model is extended to study the size and shape dependent optoelectronics properties of semiconductors solids at nanoscale. On structural miniaturization down to nano scale, the optical parameters no longer remain stable but become tunable. The fraction of surface atoms and the dangling bonds on the surface affects the properties of semiconductors at nanoscale. The theory is applied to study the size and shape dependent energy band gap, dielectric constant and phonon frequency of TiO₂, CdS, CdSe, Si and GaN semiconductor nanosolids. We incorporated the relaxation factor, defined as the ratio of dangling bonds and the total bonds of atoms at nano scale. It is predicted that as the energy band increases with decrease in size, the effect becomes more when shape changes from spherical to tetrahedral. The model projects a decrease in phonon frequency and dielectric constants of semiconductor nanostructured materials with decrease in particle size. A good agreement between predicted results and the available experimental data is projected.     

Four-wave mixing spectroscopy of aqueous suspensions of single-wall carbon nanotubes in the ranges of 0.1–10 and 100–250 cm<Superscript>−1</Superscript>

Distinctive optical properties of single-wall carbon nanotubes (SWNT) are highly sensitive to variations in the environment. Here, we have studied SWNT in aqueous suspensions at a low (less than 0.1 μg ml⁻¹) concentration by four-wave mixing (FWM) spectroscopy in the spectral bands of 0.1 to 10 cm⁻¹ (≈300 GHz) and 100 to 250 cm⁻¹ (3 to 7.5 THz). We directly investigated the hydration layers around SWNT. A comparison of the FWM spectra of an SWNT aqueous suspension and Milli-Q water shows a considerable increase in the intensity of low-frequency Raman modes, which are attributed to the rotational transitions of H₂O₂ and H₂O molecules. We explain the observed phenomenon by the hydrogen peroxide production and formation of a low-density depletion layer at the water-nanotube interface. We have observed several SWNT radial breathing modes ω _RBM =118.5, 164.7, and 233.5 cm⁻¹ in an SWNT aqueous suspension and estimated the corresponding SWNT diameters as ≈2.0, 1.5, and 1 nm.     

热效应对纳米焊接界面结构的影响

采用分子动力学方法深入研究热效应对纳米焊接界面结构的影响。具体分析了碳管直径和时间的变化对界面结构的影响规律,并详细给出了1530 K下的焊接过程。结果表明,除碳管(5,5)外,碳管(6,6),(7,7),(9,9),(11,11)中纳米线形成的时间分别为13.8, 14.6, 17.5, 19.6 ps。纳米线是由单根或多根Ni原子链组成,碳管(6,6),(7,7),(9,9),(11,11)中Ni原子链数分别为1,3,7和16。界面结构包括内部焊接和外部焊接。内部焊接的临界直径由碳管(6,6)决定,其值为0.814 nm。在同一时刻,大直径的碳管可获得更大的外部接触长度。外部接触长度的增长速率随碳管直径的增加而增大,接触长度的最大增长速率可达0.013 nm/ps。最后确定了界面结构形成临界温度,发现对于相同直径碳管,外部焊接的临界温度高于内部焊接的临界温度,临界温度与碳管直径无关。     

Coherent Interband and Intersubband Dynamics in Terahertz-Driven GaAs Quantum Wells

We theoretically investigate the optical absorption spectra and charge density by subjecting a GaAs quantum well to both an intense terahertz (THz)-frequency driving field and an optical pulse within the theory of density matrix. In presence of a strong THz field, the optical transitions in quantum well subbands are altered by the THz field. The alteration has a direct impact on the optical absorption and the charge density. The excitonic peak splitting and THz optical sideband in the absorption spectra show up when changing the THz field intensity and/or frequency. The Autler-Towns splitting is a result from the THz nonlinear dynamics of confined excitons. On the other hand, the carrier charge density is created as wave packets formed by coherent superposition of several eigenstates. The charge density exhibitsquantum beats for short pulses and/or wider wells and is modulated by the THz field.     

Terahertz generation with tandem seeded optical parametric generators

A simple difference frequency generation (DFG) scheme based on two seeded optical parametric generators is presented as a tunable terahertz (THz) source. Using the nonlinear optical crystal 4-dimethylamino-N-methyl-4-stilbazolium-tosylate (DAST) as the DFG crystal, our system has demonstrated continuous and seamless tunable operation from 1.6 to 4.5 THz. The output bandwidth of the THz source is 2.4 GHz. The utility of the source over this spectral range is demonstrated by measuring a high-resolution transmission spectrum of water vapor in air.     

The structure and dynamics of water inside armchair carbon nanotube

In this paper we present some simulation results about the behaviour of water molecules inside a single wall carbon nanotube (SWNT). We find that the confinement of water in an SWNT can induce a wave-like pattern distribution along the channel axis, similar phenomena are also observed in biological water channels. Carbon nanotubes(CNTs) can serve as simple nonpolar water channels. Molecular transport through narrow CNTs is highly collective because of tight hydrogen bonds in the protective environment of the pore. The hydrogen bond net is important for proton and other signal transports. The average dipoles of water molecules inside CNTs (7,7), (8,8) and (9,9) are discussed in detail. Simulation results indicate that the states of dipole are affected by the diameter of SWNT. The number of hydrogen bonds, the water--water interaction and water--CNT interaction are also studied in this paper.     

激光等离子体光丝中太赫兹频谱的调控

研究了双色激光场激发空气成丝产生太赫兹辐射频谱的变化规律.实验观察到随驱动光功率和光丝长度增加,太赫兹光谱主要发生红移的现象.分析表明,由于等离子体密度的增加,太赫兹辐射的趋肤深度减小,等离子体吸收主导了红移的发生.在光丝足够短的条件下,趋肤深度远大于光丝长度,从而产生等离子体振荡主导的太赫兹辐射光谱蓝移.本研究为超快宽带太赫兹辐射的频谱调控提供了新思路.     

THz Generation via Optical Rectification in Nanomaterials: Universal Modeling Approach and Effective χ¯¯(2) Description

Optical rectification (OR) at the nanoscale has attracted an increasing interest in the prospect of providing efficient ultracompact terahertz (THz) sources. Here, a universal modeling approach capable of addressing both isotropic and anisotropic all-dielectric nonlinear nanomaterials on an ultra-broad spectral range, covering the highly dispersive phonon-polariton window, and different orientations of the crystallographic axes with respect to the geometry of the structure is reported. This analysis is exemplified by considering two study cases, that is, nanopillars of AlGaAs and of LiNbO₃. A close comparison between the two cases is established in terms of THz generation efficiency from 4 to 14 THz. Phonon-polariton contributions to the OR process are disentangled from the electronic one, and a model order reduction based on the reciprocity theorem is applied and validated on both the considered configurations. These results, combined with the inspection of the THz near-field features, pave the way to the design and optimization of nonlinear metasurfaces for THz generation and detection at the nanoscale.     

Dynamical phenomena in fast sliding nanotube models

The experimentally known fact that coaxial carbon nanotubes can be forced to slide one inside the other stimulated in the past much detailed modelling of the dynamical sliding process. Molecular dynamics simulations of sliding coaxial nanotubes showed the existence of strong frictional peaks when, at large speed, one tube excites the other with a ‘washboard’ frequency that happens to resonate with some intrinsic vibration frequency. At some of these special speeds we discover a striking example of dynamical symmetry breaking taking place at the nanoscale. Even when both nanotubes are perfectly left–right symmetric and nonchiral, precisely in correspondence with the large peaks of sliding friction occurring at a series of critical sliding velocities, a nonzero angular momentum spontaneously appears. A detailed analysis shows that this internal angular momentum is of phonon origin, in particular arising from preferential excitation of a right polarized (or, with equal probability, of a left polarized) outer-tube ‘pseudorotation’ mode, thus spontaneously breaking their exact twofold right–left degeneracy. We present and discuss a detailed analysis of nonlinear continuum equations governing this phenomenon, showing the close similarity of this phenomenon with the well-known rotational instability of a forced string, which takes place under sufficiently strong periodic forcing of the string. We also point out new elements appearing in the present problem which are ‘nano’, in particular the involvement of Umklapp processes and the role of sliding nanofriction.     

Effect of external electric field on the terahertz transmission characteristics of electrolyte solutions

We fabricated a microfluidic chip with simple structure and good sealing performance, and studied the influence of the electric field on THz absorption intensity of liquid samples treated at different times by using THz time domain spectroscopy system. The tested liquids were deionised water and CuSO₄, CuCl₂, NaHCO₃, Na₂CO₃ and NaCl solutions. The transmission intensity of the THz wave increases as the standing time of the electrolyte solution in the electric field increases. The applied electric field alters the dipole moment of water molecules in the electrolyte solution, which affects the vibration and rotation of the whole water molecules, breaks the hydrogen bonds in the water, increases the number of single water molecules and leads to the enhancement of the THz transmission spectrum.     

太赫兹波被动遥感卷云微物理参数的敏感性试验分析

太赫兹波长和典型卷云的冰晶粒子尺度处于同一量级,其在遥感卷云微物理参数(粒子尺度和冰水路径)方面具有广阔的应用前景.为了评估卷云微物理参数对太赫兹波传输特性的影响及其在太赫兹波段的敏感性,基于大气辐射传输模式分别模拟计算了晴空和有云条件下大气层顶的太赫兹辐射光谱特征,分析了这两种条件下辐射亮温差值的特点,研究了卷云冰晶粒子形状、粒子尺度及冰水路径对太赫兹辐射传输特性的影响,并定量计算了相关敏感系数.结果表明:卷云冰晶粒子形状、粒子尺度、冰水路径等对太赫兹波传输特性均有不同程度的影响,卷云效应也因通道频率而异,太赫兹波对卷云的粒子尺度和冰水路径有较高的敏感性,是理论上被动遥感卷云微物理特性的最佳波段.研究结果对于进一步发展太赫兹波被动遥感卷云技术、提高卷云参数的反演精度具有重要意义.     

基于太赫兹超材料的微流体折射率传感器

太赫兹生物医学是目前光谱研究领域的热点,其主要难点在于如何有效避免水分的干扰,进行液相环境下样本的灵敏分析与检测。超材料太赫兹传感器由于具有高灵敏、快速检测、痕量分析等优势,而成为太赫兹生物医学传感领域的重要研究方法。设计加工了一种基于单开口谐振环超材料的太赫兹液相传感芯片,为了有效克服水对太赫兹波的强烈吸收,利用微纳加工技术刻蚀深度为50 μm的流体通道。传感芯片整合了超材料基底与PDMS流道,在THz频段有两个位于0.771和2.129 THz的谐振峰。以水、无水乙醇作为常见化学溶剂进行传感实验,相对于空白传感器本身的THz时域谱而言,液体的加入导致时域峰的相位延迟和幅度减小。同时,由于水的折射率大于乙醇,THz透射频谱结果显示为水的频移改变量大于乙醇,且峰2大于等于峰1。上述结果表明,构建的超材料液相传感芯片是一个灵敏的折射率传感器,也证明了该传感器在测量液态样品方面的可行性。此外,利用该芯片研究了不同浓度的PBS溶液,发现水溶液中加入离子会导致谐振频率红移（以水为参考）,随着离子浓度增加,谐振频率改变量依次增加,10X PBS红移量最大,峰1为22.9 GHz,峰2为30.5 GHz。比较两个谐振峰的传感性能,峰2的传感能力更好,但是峰1对低浓度的离子溶液更加敏感。因此,构建的微流体传感器及检测体系作为一个灵敏的折射率传感器,可开发一个灵敏的无标记THz传感平台,为太赫兹生物医学研究提供新思路。     

外差式相干探测时域光谱仪对磷化铟（InP）晶片的超宽频带太赫兹光谱的探测

磷化铟（InP）属于Ⅲ-Ⅴ族化合物半导体材料, 在毫米波的应用中展示出了高性能,在非线性太赫兹器件应用上具有很大的潜力。以前关于InP的研究主要集中于太赫兹频率在0.1～4 THz的频率范围内,在4～10 THz频率范围内InP的太赫兹光学数据还是空白。该研究利用空气等离子体相干探测太赫兹波的时域光谱系统研究了无掺杂的InP晶片在超宽THz频率范围（0.5～18 THz）内的光学特性, 实验中用电离的空气作为太赫兹的发射器和探测器, 利用可以调制的局部偏压诱导二次谐波产生,使在气体中太赫兹波的相干探测成为可能,明显提高了系统的动态范围和灵敏度。产生的太赫兹频谱宽度主要被激光脉冲持续时间所限制,太赫兹脉冲通过InP晶片后相对于参考脉冲会延迟,同时振幅会降低。另外,太赫兹信号的频谱振幅在6.7～12.1 THz范围内下降到本底噪声。同时还可以看出InP晶片在6.7～12.1 THz频率范围内不透光,在0.8～6.7 THz以及12.1～18 THz频率范围内InP的吸收系数相对较低,特别是在15～17.5 THz范围内吸收系数很低并且保持相对稳定,与此同时它的折射率单调增加。这些发现将有助于基于InP晶片的非线性太赫兹器件设计。     

A flexible wideband bandpass terahertz filter using multi-layer metamaterials

We make a flexible wideband bandpass filter at terahertz (THz) frequencies using multi-layer metamaterials. A very flat response in the passband can be obtained since the Fabry–Perot reflection inside the rigid substrate is eliminated. The center frequency is about 0.89 THz with a 3 dB bandwidth of 0.69 THz for normal incidence. The sharp band-edge transitions are 53 and 70 dB/THz to the rejection bands, respectively. The measured average insertion loss is 1.4 dB with a ripple of 0.8 dB. Furthermore, the transmission feature is insensitive to the polarization of incident wave due to the symmetric structure of the unit cell of the metamaterials. Also, it has a small change as the increase of the curvature of the flexible substrate. This result manifests that the multi-layer metamaterials can provide an effective way to design wideband THz devices.     

基于有机吡啶盐晶体的太赫兹频率上转换探测

利用激光泵浦国产有机吡啶盐4-(4-二甲基氨基苯乙烯基)甲基吡啶对甲基苯磺酸盐(4-N,N-dimethylamino-4′-N′-methyl-stilbazolium tosylate,DAST)晶体,通过非线性频率上转换方法实现了室温运转的高灵敏、快响应、宽频段太赫兹探测.高效生成了近红外上转换光,采集到其脉冲包络和光谱,获得了ns量级的时间分辨率,并换算太赫兹波的频率,实现了对太赫兹信息的全面表征.与商用高莱探测器相比,上转换方法在19 THz频点的探测灵敏度高4个数量级;在可探测频率3.15—29.82 THz范围内,响应度普遍高2—3个数量级.结果表明:室温下的光泵频率上转换探测方法在时间分辨率和响应度方面远优于传统的热探测器,极大地提高了差频有源太赫兹系统的动态范围,使差频源在太赫兹波谱分析和成像等领域具有更大的应用潜力.     

Channel-switchable single-/dual-wavelength single-longitudinal-mode laser and THz beat frequency generation up to 3.6 THz

We propose and demonstrate a simple approach to realize channel-switchable single-/dual-wavelength single-longitudinal-mode (SLM) lasers and switchable beat frequency generation in the THz frequency regime. It is a compact fiber-ring laser incorporating a Fabry–Pérot etalon, tunable filters, and a piece of unpumped polarization maintaining erbium-doped fiber (PM-EDF) as the saturable absorber. Two parallel-arranged tunable filters are configured inside the ring cavity to support switchable dual-wavelength SLM operation and consequent THz beat frequency generation. Switchable 19-channel 200-GHz ITU-grid-compatible single-wavelength SLM operation is implemented. Moreover, the channel-switchable dual-wavelength SLM laser and switchable THz beat frequency generation ranging from 0.2 to 3.6 THz with a tuning step of 0.2 THz are demonstrated in the experiment.     

Tunable ultra-wideband terahertz filter based on three-dimensional arrays of H-shaped plasmonic crystals

A face-to-face system of double-layer three-dimensional arrays of H-shaped plasmonic crystals is proposed, and its transmission and filtering properties are investigated in the terahertz regime. Simulation results show that our design has excellent filtering properties. It has an ultra-wide bandgap and passband with steep band-edges, and the transmittance of the passband and the forbidden band are very close to 1 and 0, respectively. As the distance between the two face-to-face plates increases, the resonance frequency exhibits a gradual blueshift from 0.88 THz to 1.30 THz. Therefore, we can dynamically control the bandwidths of bandgap and passband by adding a piezoelectric ceramic plate between the two crystal plates. Furthermore, the dispersion relations of modes and electric field distributions are presented to analyze the generation mechanisms of bandgaps and to explain the location of bandgaps and the frequency shift phenomenon. Due to the fact that our design can provide many resonant modes, the bandwidth of the bandgaps can be greatly broadened. This paper can serve as a valuable reference for the design of terahertz functional devices and three-dimensional terahertz metamaterials.