纳米硅锗热电材料和纳米器件的研究进展

近年来,纳米技术逐渐被用来设计和制备硅锗（Si−Ge）热电材料和新型器件。为了提高Si−Ge热电材料的热电性能,研究学者利用各种纳米结构对Si−Ge热电材料进行了理论研究。其中,利用纳米线、超晶格和量子点等结构中的能带机理与散射机理,从理论上设计了降低Si−Ge纳米结构热导率和提高其功率因子的途径。同时,高效的Si−Ge纳米热电材料被制备出来,包括纳米块体材料的热电性能得到大幅度提高,室温下薄膜和纳米线的热电性能实现了重大突破。在高性能材料的基础上,新型Si−Ge纳米热电器件的研发除了关注于制备工艺优化外,还包括传热结构和原型器件的设计。     

两种石墨烯修饰的复合热界面材料的制备及热性能的研究

采用化学氧化还原法制备的石墨烯和化学气相沉积法制备的三维网状石墨烯共同作为导热填料改性环氧树脂,研究导热填料质量分数的变化对环氧树脂热导率的影响,并进一步测定复合热界面材料的热导率在高温下的稳定性。结果表明:当石墨烯-三维网状石墨烯的质量分数为0.2(石墨烯和三维网状石墨烯的比例为1∶9)时,可使环氧树脂的热导率提高2 400%;三维网状石墨烯的三维网状结构和石墨烯的表面官能团对复合热界面材料的热性能具有显著地影响;三维网状石墨烯为声子提供了快速传输通道,而石墨烯的表面官能团能促进环氧树脂与石墨烯之间形成良好的接触,降低界面热阻,在石墨烯和三维网状石墨烯的协同作用下可提高热界面材料的热导率。此外,可以通过优化导热填料的尺寸,提高复合热界面材料热导率的稳定性。     

两种石墨烯修饰的复合热界面材料的制备及热性能研究

采用化学氧化还原法制备的石墨烯和化学气相沉积法制备的三维网状石墨烯共同作为导热填料改性环氧树脂,研究导热填料质量分数的变化对环氧树脂热导率的影响,并进一步测定复合热界面材料的热导率在高温下的稳定性。结果表明:当石墨烯-三维网状石墨烯的质量分数为0.2(石墨烯和三维网状石墨烯的比例为1∶9)时,可使环氧树脂的热导率提高2 400%;三维网状石墨烯的三维网状结构和石墨烯的表面官能团对复合热界面材料的热性能具有显著地影响;三维网状石墨烯为声子提供了快速传输通道,而石墨烯的表面官能团能促进环氧树脂与石墨烯之间形成良好的接触,降低界面热阻,在石墨烯和三维网状石墨烯的协同作用下可提高热界面材料的热导率。此外,可以通过优化导热填料的尺寸,提高复合热界面材料热导率的稳定性。     

基于Ti基MXene的储钠负极及其性能调控机制

二维MXene材料具有大且可调节的层间距,是一类备受关注的钠离子电池负极材料。为探究MXene材料储钠性能的调控机制,本工作选择Ti基碳化物MXene为目标材料,采用第一性原理计算预测和实验验证相结合的方法,研究了组成成分和结构调控对其储钠性能的影响。组成成分调控包括官能团取代和N对C的置换,结构调控主要是构建Ti₃C₂Tx MXene与过渡金属硫属化合物的异质结构。研究结果表明,含氧官能团和异质结构能够扩大MXene材料的层间距,防止层间堆叠;N置换可以增强电荷传输,有利于提高材料的结构稳定性和导电性,从而提高材料的比容量。其中构建异质结构对材料的性能改善作用最为显著。研究结果可为钠离子电池负极材料的选材提供理论依据,有助于开发高性能MXene基储钠负极材料。此外,本工作提出的分析方法也可以扩展应用到金属离子电池电极材料的结构和性能研究中。     

前景广阔的热电材料

热电材料是一种利用固体内部载流子运动实现热能和电能直接相互转换的功能材料.人们对热电材料的认识具有悠久的历史.     

非均质温差发电器的性能分析

建立非均质温差发电器(TEG)理论模型,考虑热电材料的非均质导热系数以及温差发电器与热源间的传热热阻的影响,分析非均质温差发电器的一般性能.讨论热电元件对数、热导率、高温热源温度对非均质温差发电器性能特性的影响.结果表明,相较于均质温差发电器,导热系数不均匀强度越大,非均质温差发电器的最大输出功率和最大效率越高;热电元...     

Bi-Te基热电材料的能带结构计算

采用基于密度泛函理论的自洽赝势方法，计算了Bi—Te基热电材料不同化学配比下的电子结构。介绍了Bi2Te3材料的能带以及态密度，并计算了不同配比材料的载流子有效质量。计算结果显示：随着碲含量的增加，Bi—Te基热电材料从N型半导体向P型转变，在导电性质确定的情况下，塞贝克系数随着碲含量的增加而升高。     

TiO2纳米管限域Fe2O3的可见光分解水制氢性能

通过真空−超声辅助的等体积浸渍法制备了TiO2纳米管限域Fe2O3催化剂,考察了其可见光分解水制氢性能。由于TiO2纳米管的限域效应,导致Fe2O3颗粒减小,分散度提高,能隙增大,光生载流子得到有效分离,提高了其光解水制氢活性。     

基于热辨识技术的硅基防热材料高温热导率测量

硅基防热材料是高超声速飞行器防热系统用重要材料之一,但由于硅基防热材料在高温条件下存在着复杂的物理化学变化,使得高温热导率的获取变得困难,这已成为飞行器防热系统精细化设计的主要制约瓶颈。基于热导率辨识方法,设计了一种能够实现硅基防热材料高温热导率测量的试验测量装置,对硅基防热材料在常温~800℃热导率进行了测量,并将测得的热导率外推应用到其他试验状态。结果表明,测得的硅基防热材料高温热导率合理可靠,具有很高的工程精度。该试验测量装置可实现不同温度下热导率的同步测量,测量成本低,效率高,这对其他防热材料的高温热导率测量具有重要的参考价值。     

纳米ZrO2对水泥基材料性能的改性作用

为了研究纳米ZrO_2对水泥基材料抗压强度、孔隙率和渗透性能的改性作用,以30nm ZrO_2为研究对象,研究纳米ZrO_2掺量(1%、2%、4%、8%)对水泥基材料性能的影响,并分析其作用机制。试验结果表明,纳米ZrO_2掺量为1%、2%、4%、8%时,水泥基材料的化学收缩约为对照组的87.7%、98.4%、117.1%、117.6%;抗压强度约提高了53%～135%;孔隙率和渗透系数分别降低5.4%～19.9%、7.9%～17.3%。综合分析发现,纳米ZrO_2的作用机制主要是填充效应和晶核作用,即通过填充作用,降低了孔隙率达到提高抗压强度和降低渗透性能的目的;同时通过晶核作用加速了水泥的水化。     

Design of a thermoelectric generator with fast transient response

Thermoelectric modules are currently used both in Peltier cooling and in Seebeck mode for electricity generation. The developments experienced in both cases depend essentially on two factors: the thermoelectric properties of the materials that form these elements (mainly semiconductors), and the external structure of the semiconductors. Figure of Merit Z is currently the best way of measuring the efficiency of semiconductors, as it relates to the intrinsic parameters of the semiconductor: Seebeck coefficient, thermal resistance, and thermal conductivity. When it comes to evaluating the complete structure, the Coefficient of Performance (COP) is used, relating the electrical power to the thermal power of the module. This paper develops a Thermoelectric Generator (TEG) structure which allows minimising the response time of the thermoelectric device, obtaining short working cycles and, therefore, a higher working frequency.     

Inorganic thermoelectric materials: A review

Thermoelectric generator, which converts heat into electrical energy, has great potential to power portable devices. Nevertheless, the efficiency of a thermoelectric generator suffers due to inefficient thermoelectric material performance. In the last two decades, the performance of inorganic thermoelectric materials has been significantly advanced through rigorous efforts and novel techniques. In this review, major issues and recent advancements that are associated with the efficiency of inorganic thermoelectric materials are encapsulated. In addition, miscellaneous optimization strategies, such as band engineering, energy filtering, modulation doping, and low dimensional materials to improve the performance of inorganic thermoelectric materials are reported. The methodological reviews and analyses showed that all these techniques have significantly enhanced the Seebeck coefficient, electrical conductivity, and reduced the thermal conductivity, consequently, improved ZT value to 2.42, 2.6, and 1.85 for near-room, medium, and high temperature inorganic thermoelectric material, respectively. Moreover, this review also focuses on the performance of silicon nanowires and their common fabrication techniques, which have the potential for thermoelectric power generation. Finally, the key outcomes along with future directions from this review are discussed at the end of this article.     

Impacts of cone-structured interface and aperiodicity on nanoscale thermal transport in Si/Ge superlattices

Si/Ge superlattices are promising thermoelectric materials to convert thermal energy into electric power. The nanoscale thermal transport in Si/Ge superlattices is investigated via molecular dynamics (MD) simulation in this short communication. The impact of Si and Ge interface on the cross-plane thermal conductivity reduction in the Si/Ge superlattices is studied by designing cone-structured interface and aperiodicity between the Si and Ge layers. The temperature difference between the left and right sides of the Si/Ge superlattices is set up for nonequilibrium MD simulation. The spatial distribution of temperature is recorded to examine whether the steady-state has been reached. As a crucial factor to quantify thermal transport, the temporal evolution of heat flux flowing through Si/Ge superlattices is calculated. Compared with the even interface, the cone-structured interface contributes remarkable resistance to the thermal transport, whereas the aperiodic arrangement of Si and Ge layers with unequal thicknesses has a marginal influence on the reduction of effective thermal conductivity. The interface with divergent cone-structure shows the most excellent performance of all the simulated cases, which brings a 33% reduction of the average thermal conductivity to the other Si/Ge superlattices with even, convergent cone-structured interfaces and aperiodic arrangements. The design of divergent cone-structured interface sheds promising light on enhancing the thermoelectric efficiency of Si/Ge based materials.     

Recent developments in thermoelectric materials

The increased activity in attempts to develop improved thermoelectric semiconductors for use in the direct conversion of heat into electrical energy results mostly from research sponsorship by the US Military and NASA. Thermoelectric generators have no moving parts and are difficult to detect by visual, aural or thermal infrared means. Fossil multifuelled thermoelectric generators are the leading candidates for replacing standard US Military engine generator sets up to 1·5 kW under the SLEEP programme (Signature Suppressed Lightweight Electric Energy Plants). When coupled to an isotopic heat source, thermoelectric generators are able to operate reliably and unattended for long periods of time and have a proven performance record in supplying electrical power to the Lunar Experimental Package (Apollo Program) and in providing onboard electrical power to the Voyager spacecrafts.In both military and space applications any improvement in the thermoelectric generators' conversion efficiency would result in a saving in fuel—an important consideration. One way of improving the conversion efficiency is by increasing the so called ‘Figure of merit’ of the semiconductor material employed in the fabrication of the generators' thermocouples. In this paper an assessment is made of current thermoelectric materials; recent attempts to improve the figure of merit of existing materials are discussed and a number of new thermoelectric materials described.Significant headway has been made in reducing the lattice thermal conductivity of thermoelectric materials through the use of additives, small grain sizes or combinations of both. This development will result in substantial improvements in the thermoelectric figure of merit, provided the electrical properties can be maintained close to single crystal values. It is concluded that, because in the past the development of new thermoelectric materials has occupied long periods of time, even during periods of intense research activity, it is likely that established or ‘modified’ established materials will remain the mainstay of military and space applications at least for the forseeable future.     

Thermal transport in organic/inorganic composites

Composite materials, which consist of organic and inorganic components, are widely used in various fields because of their excellent mechanical properties, resistance to corrosion, low-cost fabrication, etc. Thermal properties of organic/inorganic composites play a crucial role in some applications such as thermal interface materials for micro-electronic packaging, nano-porous materials for sensor development, thermal insulators for aerospace, and high-performance thermoelectric materials for power generation and refrigeration. In the past few years, many studies have been conducted to reveal the physical mechanism of thermal transport in organic/inorganic composite materials in order to stimulate their practical applications. In this paper, the theoretical and experimental progresses in this field are reviewed. Besides, main factors affecting the thermal conductivity of organic/inorganic composites are discussed, including the intrinsic properties of organic matrix and inorganic fillers, topological structure of composites, loading volume fraction, and the interfacial thermal resistance between fillers and organic matrix.     

Electronic structure and assessment of thermoelectric performance of TiCoSb

Abstract

First principles band structure calculations coupled with the Boltzmann transport theory are used to study the thermoelectric properties in TiCoSb under pressure. The density of states and band structure were studied in detail. The thermoelectric power, electrical conductivity and electronic thermal conductivity were analysed using the Boltzmann transport equation with the assumption of the constant relaxation time approximation and the rigid band model. The enhancement of the thermoelectric properties of TiCoSb by adjusting pressure is predicted.     

Thermoelectric transport in graphene and 2D layered materials

ABSTRACT

In early 90s, Hicks and Dresselhaus proposed that low dimensional materials are advantages for thermoelectric applications due to the sharp features in their density-of-states, resulting in a high Seebeck coefficient and, potentially, in a high thermoelectric power factor. Two-dimensional (2D) materials are the latest class of low dimensional materials studied for thermoelectric applications. The experimental exfoliation of graphene, a single-layer of carbon atoms in 2004, triggered an avalanche of studies devoted to 2D materials in view of electronic, thermal, and optical applications. One can mix and match and stack 2D layers to form van der Waals hetero-structures. Such structures have extreme anisotropic transport properties. Both in-plane and cross-plane thermoelectric transport in these structures are of interest. In this short review article, we first review the progress achieved so far in the study of thermoelectric transport properties of graphene, the most widely studied 2D material, as a representative of interesting in-plane thermoelectric properties. Then, we turn our attention to the layered materials, in their cross-plane direction, highlighting their role as potential structures for solid-state thermionic power generators and coolers.     

Parametric study of asymmetric thermoelectric devices for power generation

Thermoelectric devices are considered a promising technique for recycling waste heat. In the present work, a three-dimensional numerical model is developed to study the output performance of thermoelectric devices. A comprehensive analysis is performed based on a conventional π-type thermoelectric couple. The results indicate that the maximum power of thermoelectric devices generally increases with a decrease in height and an increase in cross-sectional area; the maximum efficiency exhibits the opposite trends. The best way to reduce heat losses is by using ceramic plates with higher thermal conductivity. Moreover, the parasitic internal resistance exists in the thermoelements, and its influencing factors are studied. To minimize electric losses, an asymmetric structure is proposed for thermoelectric devices. The results exhibit that the optimal cross-sectional area ratio of the p-type and n-type legs (S_p/S_n) is mainly contingent upon the thermoelectric material parameters; the greater the differences in the parameters of p-type and n-type thermoelectric materials, the greater the gains provided by the asymmetric structure. Furthermore, the experimental data present great consistency with the numerical results. The research results may help guide the design of thermoelectric devices with relatively lower power losses.     

A Review of Thermal Transport in Low-Dimensional Materials Under External Perturbation: Effect of Strain,Substrate, and Clustering

Due to their exceptional electrical, thermal, and optical properties, low-dimensional (LD) materials are very promising for many applications, such as nanoelectronic devices, energy storage, energy conversion, and thermal management. The thermal performance of LD materials is often an important consideration in these applications. Although freestanding LD materials exhibit interesting thermal properties, they are almost never used in such a form. Instead, they are often integrated into a certain environment; for example, in a composite material or on a substrate. Due to the large surface-to-volume ratio of LD materials, the environment usually has a strong impact on the thermal transport properties of these materials. The thermal behavior of the LD materials can be completely different from the freestanding form. The effect of environmental perturbation on thermal transport properties has recently attracted a lot of research interest. In this article, we aim to provide a comprehensive review of how the typical external perturbations, including tensile strain, substrate, and clustering, can affect the thermal transport properties of LD materials. Emphasis will be placed on how these perturbations affect the lattice structure, phonon dispersion, lattice anharmonicity, and thermal conductivity. We will also summarize the achievements and the remaining challenges on this research topic.