Thermal properties of single-walled carbon nanotube crystal

In this work, the thermal properties of a single-walled carbon nanotube (SWCNT) crystal are studied. The thermal conductivity of the SWCNT crystal is found to have a linear dependence on temperature in the temperature range from 1.9 K to 100.0 K. In addition, a peak (658 W/mK) is found at a temperature of about 100.0 K. The thermal conductivity decreases gradually to a value of 480 W/mK and keeps almost a constant in the temperature range from 100.0 K to 300.0 K. Meanwhile, the specific heat shows an obvious linear relationship with temperature in the temperature range from 1.9 K to 300.0 K. We discuss the possible mechanisms for these unique thermal properties of the single-walled carbon nanotube crystal.     

Consequences of nanoparticle diameter and solid–liquid interfacial layer on the SWCNT/EO nanofluid flow over various shaped thin slendering needles

In this research article, we have discussed about the boundary layer flow of single walled CNT– engine oil nanofluid over three distinct nonlinearly slendering isothermal thin needles of cone, paraboloid and cylinder shapes with zero mass flux at boundary condition. We have considered the effects of diameter of SWCNT and solid–liquid interfacial layer in the thermal conductivity model of the nanofluid. We also combined single phase and double phase model to construct our model. Then after some transformations the governing equations are solved numerically and staged the effects of diameter of SWCNT and nanolayer on the characteristics of the flow through proper graphs and charts. Here, we observed that the presence of the SWCNT decreases both temperature and heat flow in the system. Also we established that cone shaped needle is the most affected by the material parameters of consideration.     

氮化硼纳米带功能化碳纳米管的热自旋输运性质

热自旋电子学器件结合了自旋电子学和热电子学各自的优点,对人类可持续发展具有重要作用.本文研究了锯齿形BN纳米带(ZBNRs)共价功能化碳纳米管(SWCNT)的电子结构,发现ZBNRs-B-(6,6)SWCNT为磁性半金属,nZBNRs-B-(6,6)SWCNT(n=2—8)为磁性金属;nZBNRs-N-(6,6)SWCNT(n=1—8)为双极化铁磁半导体;4ZBNRs-B-(4,4)SWCNT和4ZBNRs-N-(4,4)SWCNT为磁性半金属,4ZBNRs-B-(m,m)SWCNT(m=5—9)为磁性金属;4ZBNRs-N-(m,m)SWCNT(m=5—9)为双极化铁磁半导体.然后,基于锯齿形BN纳米带共价功能化碳纳米管设计了新型热自旋电子学器件,发现基于ZBNRs-N-(6,6)SWCNT的器件具有热自旋过滤效应;而8ZBNRs-N-(6,6)SWCNT和nZBNRs-B-(6,6)SWCNT(n=1,8)都存在自旋相关塞贝克效应.这些发现表明BN纳米带功能化碳纳米管在热自旋电子学器件方面具有潜在的应用.     

金原子掺杂的碳纳米管吸附CO气体的密度泛函理论研究

鉴于碳纳米管复合材料具有较强气敏性,该性质对于指导剧毒气体探测器的研发具有重要意义,因此,本文采用密度泛函方法对CO气体在本征、金原子掺杂(8,0)单壁碳纳米管的吸附行为进行研究. 通过对吸附体系的几何、电子结构研究表明,CO分子在金原子掺杂的碳纳米管外壁的金原子位置处的吸附能力远大于CO在本征碳纳米管处的吸附,此外,还计算了两种典型位置的电子密度、态密度,进一步支持了掺金碳纳米管对CO气体具有超强的敏感性,因此,金原子掺杂的碳纳米管有望成为探测CO气体的新一代气敏元件. 关键词： 碳纳米管 CO 金原子 掺杂     

碳纳米管内金纳米线的结构与热稳定性

采用分子动力学模拟方法, 研究了填充在(8,8)单壁碳纳米管内的Au纳米线的结构和热稳定性. 研究表明, 经高温退火至室温, Au在碳纳米管内能生成多样而稳定的结构上明显区别于自由状态Au纳米线的壳层螺旋结构Au纳米线, 其螺旋结构会随着温度的变化而转变. 束缚在碳纳米管内的壳层螺旋结构Au纳米线有非常好的热稳定性, 稳定温度高于块体Au晶体的熔化温度. 关键词： 纳米线 碳纳米管 热稳定性 分子动力学模拟     

单壁碳纳米管膜及其三聚氰胺甲醛树脂复合材料的光电特性

单壁碳纳米管能够强烈吸收光线,尤其是在近红外区域,并能将光能转换成热能.同时,单壁碳纳米管还具有相当大的将热能转换成电能的能力.通过真空过滤方法,将由化学气相沉积生成的单壁碳纳米管阵列制备成单壁碳纳米管膜.根据研究的需要设计了一个简单的单壁碳纳米管膜光伏性质测试实验装置,并在其两端成功地实现了由红外光转换为电压输出.通过功能化步骤,制备了单壁碳纳米管/三聚氰胺甲醛树脂复合材料膜,实验结果表明该复合材料能产生符号相反的输出电压.这预示着单壁碳纳米管及其三聚氰胺甲醛树脂复合材料在光电领域具有良好的应用前景.     

Anode material based on SWCNT for infrared quantum dot light-emitting devices

We present an optical model based on Green’s function to investigate the effect of using single-wall carbon nanotube (SWCNT) as anode for infrared quantum dot light-emitting devices (IR QD-LEDs). To the best of our knowledge, there is no report in using SWCNT as anode in IR QD-LEDs. We have studied the emitted power distribution among the different optical modes (external propagating mode (photon outcoupling efficiency), substrate, anode/organics, and surface plasmon modes (SP)), angular intensity distribution, viewing angle effect on the optical characteristics, and the emission spectral characteristics. We have found that the light outcoupling efficiency of IR QD-LEDs based on SWCNT as anode was increased nearly by a factor of 4 relative to that one based on indium-tin oxide (ITO). We also investigated the effect of using different cathode materials on the optical characteristics of IR QD-LEDs.     

Thermal Conductivity of Three‐Dimensional Yukawa Liquids (Dusty Plasmas)

An improved method is proposed to investigate the behavior of a Yukawa liquid under the action of an external field strength using computer simulated nonequilibrium molecular dynamics. The thermal conductivity calculations with appropriate normalizations, in the limit of low value field strengths, are estimated over a wide range of the Coulomb coupling and screening strengths. The new simulations provide more reliable data for the thermal conductivity than the previously known results for the Yukawa liquids. The calculations show that the thermal conductivity is dependent on both the Coulomb coupling and screening parameters in the three‐dimensional (3D) Yukawa liquids. The low value field strength simulation data are found to obey the universal and quasiuniversal scaling. It is shown that the homogenous nonequilibrium method can be used to predict the thermal conductivity in Yukawa systems and to understand the fundamental features of 3D dusty plasma liquids (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Phonon Transport and Thermal Conductivity in an Acoustic Filter

We investigate the phonon ballistic transmission and the thermal conductivity in a dielectric quantum structure. It is found that these observable quantities sensitively depend on geometric parameters, and are of quantum character. The total transmission coetfficient as a function of the reduced waveguide-length exhibits periodical behaviour and the reduced thermal conductance decreases below the ideal universal value for the low temperature. Our results show that one can control the thermal conductivity of the structure and make all kinds of acoustic filters to match practical requirements in devices by adjusting the geometric parameters.     

Thermal conductivity and interface thermal resistance of Si film on Si substrate determined by photothermal displacement interferometry

An in situ, noncontact, photothermal displacement interferometer for performing thermal diffusivity measurements on bulk and thin-film materials has been developed. Localized transient surface motion is generated through photothermoelastic coupling of a pulsed, heating laser beam to the sample under investigation. The maximum surface displacement is found to be linearly dependent on the laser power while the proportionality is a function of the thermal diffusivity. Both thin-film conductivity and film/substrate interface thermal resistance are derived from the measured, effective thermal conductivity by employing simple heat-flow analysis. Wedge-shaped Si films, vacuum deposited on single crystal Si wafers are studied with this technique. A sample with oxide layer removed by ion bombardment of the wafer surface prior to film deposition shows the same film conductivity as a sample film deposited on an as-cast wafer, while the uncleaned sample exhibits higher interface thermal resistance. It is found that the thin-film thermal conductivity is somewhat smaller than the bulk value. However, the existence of an interface thermal resistance, when combined with film thermal conductivity, can result in an effective thermal conductivity as low as two orders of magnitude lower than the bulk value.Currently supported by the LLE fellowship     

The effect of particle size on the thermal conductivity of alumina nanofluids

We present new data for the thermal conductivity enhancement in seven nanofluids containing 8–282 nm diameter alumina nanoparticles in water or ethylene glycol. Our results show that the thermal conductivity enhancement in these nanofluids decreases as the particle size decreases below about 50 nm. This finding is consistent with a decrease in the thermal conductivity of alumina nanoparticles with decreasing particle size, which can be attributed to phonon scattering at the solid–liquid interface. The limiting value of the enhancement for nanofluids containing large particles is greater than that predicted by the Maxwell equation, but is predicted well by the volume fraction weighted geometric mean of the bulk thermal conductivities of the solid and liquid. This observation was used to develop a simple relationship for the thermal conductivity of alumina nanofluids in both water and ethylene glycol.     

Enhancement effect of asymmetry on the thermal conductivity of double-stranded chain systems

Using nonequilibrium molecular dynamics simulations, we study the thermal conductivity of asymmetric double chains. We couple two different single chains through interchain coupling to build three kinds of asymmetric double-stranded chain system: intrachain interaction, external potential, and mass asymmetric double chains. It is reported that asymmetry is helpful in improving the thermal conductivity of the system. We first propose double-heat flux channels to explain the influence of asymmetric structures on the thermal conductivity. The phonon spectral behaviour and finite size effect are also included.     

Synthesis and study of optical and electrical characteristics of a hybrid structure of single wall carbon nanotubes and silver nanoparticles

Ag nanoparticles of average size 20 nm have been deposited on SWCNT surfaces following a very lucid wet chemical process. The SWCNT/Ag nanohybrid material has been characterized using scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDAX), X-ray diffraction (XRD) analysis and Raman spectroscopy. Both optical and electrical properties of the hybrid have been studied. The hybrid material has been synthesized at 60 °C and treated to higher temperatures. About three-fold increase in photoluminescence (PL) emission intensity has been achieved when the hybrid sample has been treated to 500 °C. DC conductivity at varying temperatures from 77–473 K has been studied. The conductivity of Ag-decorated SWCNTs increased up to 1.76 times of that of pristine SWCNT at a low temperature of 180 K. This hybrid material can find wide application as conducting filler in polymer composite which other filler materials seldom possess.     

Influence of topological defects on the structure of G and D spectral bands of a single-layer carbon nanotube

A topological defect in a carbon nanotube grown by chemical vapor deposition from methane onto a silicon substrate with thermal oxide has been investigated and visualized (with a resolution of about 1.5 μm) by confocal Raman spectroscopy. Vibrational Raman spectra of molecular fragments of a single-wall carbon nanotube (SWCNT) without a defect and with Stone–Wales defects (two pentagonal and two heptagonal cells) are calculated. The influence of defects on the shape of G-band components (G⁺ and G^–), which makes it possible to determine the nanotube conductivity type, is considered.     

Construction and mechanism analysis on nanoscale thermal cloak by in-situ annealing silicon carbide film

In recent years,there is a strong interest in thermal cloaking at the nanoscale,which has been achieved by using graphene and crystalline silicon films to build the nanoscale thermal cloak according to the classical macroscopic thermal cloak model.Silicon carbide,as a representative of the third-generation semiconductor material,has splendid properties,such as the high thermal conductivity and the high wear resistance.Therefore,in the present study,we build a nanoscale thermal cloak based on silicon carbide.The cloaking performance and the perturbation of the functional area to the external temperature filed are analyzed by the ratio of thermal cloaking and the response temperature,respectively.It is demonstrated that silicon carbide can also be used to build the nanoscale thermal cloak.Besides,we explore the influence of inner and outer radius on cloaking performance.Finally,the potential mechanism of the designed nanoscale thermal cloak is investigated by calculating and analyzing the phonon density of states(PDOS)and mode participation rate(MPR)within the structure.We find that the main reason for the decrease in the thermal conductivity of the functional area is phonon localization.This study extends the preparation method of nanoscale thermal cloaks and can provide a reference for the development of other nanoscale devices.     

Dynamical thermal conductivity of bilayer graphene in the presence of bias voltage

We study dynamical thermal conductivity of doped biased bilayer graphene for both AA and AB-stacking in the context of tight binding model Hamiltonian. The effects of bias voltage and chemical potential on the behavior of dynamical thermal conductivity are discussed for different stacking of bilayer graphene. Green's function approach has been implemented to find the behavior of thermal conductivity of bilayer graphene within linear response theory. We have found that thermal conductivity decreases with chemical potential for different values of temperature and frequency. Also thermal conductivity of AB stacked bilayer graphene versus bias voltage includes a peak for each value of chemical potential. Furthermore we study the frequency dependence of thermal conductivity of AA stacked bilayer graphene for different values of temperature and bias voltage.     

Solution processed fabrication of single wall carbon nanotubes thin film by electrohydrodynamic atomization deposition technique and its characterization

An effective method for the fabrication of thin film of single wall carbon nanotubes (SWCNT) using the electro-hydrodynamic atomization (EHDA) deposition technique was demonstrated. In this study, the SWCNT aqueous based dispersion ink was subjected to electrostatic atomization by using an EHDA deposition system. The ink flow visualization under the influence of electric field was performed and the operating EHDA parametric envelope of the ink was explored. Then the deposition of SWCNT through the EHDA process was carried out onto a metallic substrate at a fixed flow rate and corresponding applied voltage thereby achieving thickness ranging from ??70 to 130?nm by making multiple deposition passes. The microscopic inspection of the film was performed and thin film quality was examined by scanning electron microscope analysis. Finally, electrical behavior of the SWCNT film onto a metallic substrate through temperature dependent current-voltage measurements was investigated. The SWCNT film deposited onto the metallic substrate showed electrical conductivity of ??2.98?S/cm.     

Experimental Studies on Thermal and Electrical Properties of Platinum Nanofilms

We experimentally studied the in-plane thermal and electrical properties of a suspended platinum nanofilm in thickness of 15 nm. The measured results show that the in-plane thermal conductivity, the electrical conductivity and the resistance-temperature coefficient of the studied nanofilm are much less than those of the bulk material, while the Lorenz number is greater than the bulk value. Comparing with the results reported previously for the platinum nanofilm in thickness of 28 nm, we further find that the in-plane thermal conductivity, the electrical conductivity and the resistance-temperature coefficient decrease with the decreasing thickness of the nanotilm, while the Lorenz number increases with the decreasing thickness of the nanofilm. These results indicate that strong size effects exist on the in-plane thermal and electrical properties of platinum nanofilms.     

Controlling Thermal Conduction by Graded Materials

Manipulating thermal conductivities are fundamentally important for controlling the conduction of heat at will. Thermal cloaks and concentrators, which have been extensively studied recently, are actually graded materials designed according to coordinate transformation approaches, and their effective thermal conductivity is equal to that of the host medium outside the cloak or concentrator. Here we attempt to investigate a more general problem: what is the effective thermal conductivity of graded materials? In particular, we perform a first-principles approach to the analytic exact results of effective thermal conductivities of materials possessing either power-law or linear gradation profiles. On the other hand, by solving Laplace's equation, we derive a differential equation for calculating the effective thermal conductivity of a material whose thermal conductivity varies along the radius with arbitrary gradation profiles. The two methods agree with each other for both external and internal heat sources, as confirmed by simulation and experiment. This work provides different methods for designing new thermal metamaterials (including thermal cloaks and concentrators), in order to control or manipulate the transfer of heat.     

氮掺杂和空位对石墨烯纳米带热导率影响的分子动力学模拟

石墨烯是近年纳米材料研究领域的一个热点,其独特的热学性质受到了广泛关注,为了实现对石墨烯传热特性的预期与可控,利用氮掺杂和空位缺陷对石墨烯进行改性.采用非平衡态分子动力学方法研究了扶手形石墨烯纳米带中氮掺杂浓度、位置及空位缺陷对热导率影响并从理论上分析了热导率变化原因.研究表明氮掺杂后石墨烯纳米带热导率急剧下降,氮浓度达到30%时,热导率下降了75.8%;氮掺杂位置从冷浴向热浴移动过程中,热导率先近似的呈线性下降后上升;同时发现单原子三角形氮掺杂结构比多原子平行氮掺杂结构对热传递抑制作用强;空位缺陷的存在降低了石墨烯纳米带热导率,空位缺陷位置从冷浴向热浴移动过程中,热导率先下降后上升,空位缺陷距离冷浴边缘长度相对于整个石墨烯纳米带长度的3/10时,热导率达到最小.石墨烯纳米带热导率降低的原因主要源于结构中声子平均自由程和声子移动速度随着氮掺杂浓度、位置及空位缺陷位置的改变发生了明显变化.这些结果有利于纳米尺度下对石墨烯传热过程进行调控及为新材料的合成应用提供了理论支持.