Physical chemistry under high electric field

All neutral materials experience forces and torques when subjected to high electric field. These interactions can be utilized in several mechanisms from electrostatic spraying to electrospinning. It also provides innovative solutions for preparing novel smart materials which can adaptively change their physical properties in external electric field. The ability of electroactive polymers to undergo a quick controllable change of shape can be used to create an artificially designed system possessing sensor- and actuator functions internally in the material.     

Recent progress on integrating two-dimensional materials with ferroelectrics for memory devices and photodetectors

Two-dimensional(2D) materials, such as graphene and Mo S2 related transition metal dichalcogenides(TMDC), have attracted much attention for their potential applications. Ferroelectrics, one of the special and traditional dielectric materials,possess a spontaneous electric polarization that can be reversed by the application of an external electric field. In recent years, a new type of device, combining 2D materials with ferroelectrics, has been fabricated. Many novel devices have been fabricated, such as low power consumption memory devices, highly sensitive photo-transistors, etc. using this technique of hybrid systems incorporating ferroelectrics and 2D materials. This paper reviews two types of devices based on field effect transistor(FET) structures with ferroelectric gate dielectric construction(termed Fe FET). One type of device is for logic applications, such as a graphene and TMDC Fe FET for fabricating memory units. Another device is for optoelectric applications, such as high performance phototransistors using a graphene p-n junction. Finally, we discuss the prospects for future applications of 2D material Fe FET.     

Processing,Structure, Properties,and Applications of PZT Thin Films

There has been a resurgence of complex oxides of late owing to their ferroelectric and ferromagnetic properties. Although these properties had been recognized decades ago, the renewed interest stems from modern deposition techniques that can produce high quality materials and attractive proposed device concepts. In addition to their use on their own, the interest is building on the use of these materials in a stack also. Ferroelectrics are dielectric materials that have spontaneous polarization in certain temperature range and show nonlinear polarization–electric field dependence called a hysteresis loop. The outstanding properties of the ferroelectrics are due to non-centro-symmetric crystal structure resulting from slight distortion of the cubic perovskite structure. The ferroelectric materials are ferroelastic also in that a change in shape results in a change in the electric polarization (thus electric field) developed in the crystal and vice versa. Therefore they can be used to transform acoustic waves to electrical signal in sonar detectors and convert electric field into motion in actuators and mechanical scanners requiring fine control. In a broader sense the ferroelectric materials can be used for pyroelectric and piezoelectric sensors, voltage tunable capacitors, infrared detectors, surface acoustic wave (SAW) devices, microactuators, and nonvolatile random-access memories (NVRAMs), including the potential production of one transistor memory cells, and applications requiring nonlinear optic components. Another set of potential applications seeks to exploit the ferroelastic properties in stacked templates where they are juxtaposed to ferromagnetic materials. Doing so would allow the control of magnetic properties with electric field, which is novel. Such templates taking advantage two or more properties acquired a new name and now goes by multiferroics. After a brief historical development, this article discusses technological issues such as growth and processing, electrical and optical properties, piezo, pyro, and ferroelectric properties, degradation, measurements methods, and application of mainly lead-zirconate-titanate (PZT = PbZr_1?xTi_xO₃). The focus on PZT stems from its large electromechanical constant, large saturation polarization and large dielectric constant.     

电场中(MgO)2吸附H2的理论研究

电场诱导MgO材料吸附H2是一种有效的储氢方法,而较高的场强制约其广泛应用。本文在B3LYP/CC-PVTZ水平上对电场中 (MgO)2团簇的储氢性质进行了研究,结果表明仅需外加强度为0.005 a. u. 的电场,就能使其对单个H2在Mg/O上的吸附能由无电场时的-0.143/-0.091 eV提高到-0.202/-0.134 eV. 该场强远小于其他大尺寸MgO材料达到相同吸附强度所需的电场,表明降低材料尺寸是减少储氢所需电场强度的一种可能方法。计算还表明电场中(MgO)2最多能吸附8个H2,相应的质量密度达到16.7 wt%。     

电场中(MgO)2吸附H2的理论研究

电场诱导MgO材料吸附H2是一种有效的储氢方法,而较高的场强制约其广泛应用。本文在B3LYP/CC-PVTZ水平上对电场中 (MgO)2团簇的储氢性质进行了研究,结果表明仅需外加强度为0.005 a. u. 的电场,就能使其对单个H2在Mg/O上的吸附能由无电场时的-0.143/-0.091 eV提高到-0.202/-0.134 eV. 该场强远小于其他大尺寸MgO材料达到相同吸附强度所需的电场,表明降低材料尺寸是减少储氢所需电场强度的一种可能方法。计算还表明电场中(MgO)2最多能吸附8个H2,相应的质量密度达到16.7 wt%。     

电场中(MgO)_2吸附H_2的理论研究

电场诱导MgO材料吸附H_2是一种有效的储氢方法,而较高的场强制约其广泛应用.本文在B3LYP/CC-PVTZ水平上对电场中(MgO)_2团簇的储氢性质进行了研究,结果表明仅需外加强度为0.005a.u.的电场,就能使其对单个H_2在Mg/O上的吸附能由无电场时的-0.143/-0.091 eV提高到-0.202/-0.134 eV.该场强远小于其他大尺寸MgO材料达到相同吸附强度所需的电场,表明降低材料尺寸是减少储氢所需电场强度的一种可能方法 .计算还表明电场中(MgO)_2最多能吸附8个H_2,相应的质量密度达到16.7 wt%.     

新型联苯胺基窄带隙共轭聚合物的光学及电化学性能研究

随着化石燃料的日益枯竭,人类社会对能源的需求在不断增长。为了平衡能量应用需求并提升能量使用效率,开发高效能量转换材料与电化学储能材料成为当前研究的重要课题。导电聚合物基电极材料面临着相应储能器件能量密度、功率密度、循环性能不高的挑战,需进行结构改性提高电导率、改善界面性质。鉴于共轭高分子的电子结构、光学及电化学性质由共轭链骨架结构决定,对导电共轭聚合物进行结构修饰以提升其电荷传输性能和载流子迁移率,进而设计合成新型高迁移率导电聚合物基共轭聚合物是提高相应器件特性的关键所在。已有研究大多借助复杂的结构设计来实现提升迁移率,设计合成了结构简单,有助提升电荷迁移的新型窄带隙聚联苯胺基共轭聚合物聚物。通过光谱学及电化学方法对材料结构与性能进行了表征分析。采用核磁共振氢谱、红外光谱,X射线粉末衍射对单体及聚合物进行了结构表征,通过紫外光谱、紫外可见漫反射、循环伏安、计时电位、交流阻抗对其进行了光学及电化学性能测试。结果表明,成功制得具有预期结构的共轭聚合物,所得聚合物结晶性较佳,光学带隙Eopt_g为1.85 eV,HOMO及LUMO能级分别为-5.44和-3.59 eV,前者高于,后者则低于大部分文献值,呈现可同时促进p-型和n-型掺杂的结构特性,具备增强材料容纳电荷能力的性能优势。聚合物储能特性受化学结构、晶体结构及微观形貌综合影响。改善材料微观结构特性有助于提升其电子电导率,但层状致密块体形貌特征又使其离子电导率受限。电化学性能测试结果显示,聚合物具有一定电化学活性,具有较小的电荷转移阻抗,具备基本满足使离子顺利扩散的条件,0.05 A·g-1时的放电比电容达256.6 F·g-1。研究结果表明,制得的联苯胺基窄带隙共轭聚合物在光电转换、储能及微型电子器件中有广阔的应用前景。     

Segmental Mobility of Liquid Crystals and Liquid Crystalline Polymers in an Electric Field: A Study by Time-Resolved Rapid-Scan and Step-Scan FTIR Spectroscopy

INTRODUCTION

Liquid crystals (LC's) and liquid-crystalline polymers have gained scientific and technical importance due to their applications as display materials and their prospective use for optical information storage and non-linear optics [1-10]. Among other aspects, the study of segmental mobility as a function of an external (electric or electromagnetic) perturbation is of basic interest for the understanding of the dynamics of such molecular processes in liquid-crystalline materials.     

Zur Reflexion und Transmission elektromagnetischer Wellen bei senkrechtem Einfall auf ebene Grenzflächen zwischen unterschiedlich absorbierenden Medien

On Reflection and Transmission of Electromagnetic Waves Propagating Perpendicular to Plane Surfaces between Different Absorbing Media Born and Ladenburg already in 1911 pointed out that to describe reflection and transmission of electromagnetic waves through a plane surface between two different absorbing media in addition to the usual Poynting vectors of the running waves the so called “mixed” Poynting vector is necessary to maintain the balance of energy on the boundary plane. The flow of energy connected with this vector always points toward the region of maximal wastage of this energy and is closely related to the spatial modulation of the energy consumption within the partially standing interference pattern between the incoming and the reflected wave. In almost all substances the energy absorption is caused by the electric field whereas practically a direct contribution from the magnetic field can be neglected. But taking account of these magnetic effects we may get a better understanding of the mixed Poynting vector. To that end we add to the second of the Maxwell equations a quantity analogous to the electric current term in the first Maxwell equation. The amplitude of the “mixed” Poynting vector then turns out to depend essentially on the ratio of the energy absorption by the electric and the magnetic field. To confirm this fact we consider a medium, which shows in addition to the usual electric losses also magnetic ones of comparable magnitudes. In such materials the resultant energy consumption is distributed more similar to the spatial distribution of the fieldenergy. As a result the amplitude of the mixed Poynting vector disappears if the percentage of energy absorption by the electric and the magnetic field and their energy densities themselves are made equal to each other.     

Ir(ppy)3掺杂PVK体系发光特性的研究

对常温下磷光染料Ir(ppy)3掺杂PVK薄膜的光致发光(PL)和电致发光(EL)特性进行了研究。器件结构为ITO/PEDOT:PSS/PVK:Ir(ppy)3/BCP/Alq3/Al。实验发现随磷光材料掺杂浓度的不同,器件的发光性能发生变化。当浓度适宜时,主体材料PVK的发光很弱,主要为Ir(ppy)3的磷光发射。通过L-I-V特性曲线的比较,掺杂浓度为5%的光电性能最好,说明器件在掺杂浓度为5%时效果最佳。     

电场中MgO分子吸附H2的理论研究

研究电场中MgO分子与H2的相互作用是探索MgO材料储氢性能的基础。在B3LYP/6-31G**水平上研究了电场中H2在MgO分子上的吸附行为。结果给出电场中单个H2在Mg/O上的吸附能由无电场时-0.021/-0.099eV提高到场强为0.005a.u.时的-0.037/-0.139 eV。H2吸附在O离子上时,电场效应更显著。电场中MgO分子最多能吸附10个H2,相应的质量密度达33wt%。表明电场诱导MgO材料吸附H2是一种具有潜力的储氢方法。通过电子结构分析讨论了电场中MgO分子储氢的机理。     

电子的谷自由度

电子在晶格周期性势场影响下的运动遵循布洛赫定理. 布洛赫电子除了具有电荷和自旋两个内禀自由度外, 还有其他内禀自由度. 能带色散曲线上的某些极值点作为谷自由度, 具有独特的电子结构和运动规律. 本文从布洛赫电子的谷自由度出发, 简单介绍传统半导体的谷电子性质研究现状, 并重点介绍新型二维材料体系, 如石墨烯、硅烯、硫族化合物等材料中谷相关的物理特性. 有效利用谷自由度的新奇输运特性, 将其作为信息的载体可以制作出新颖的纳米光电子器件, 并有望造就下一代纳电子器件的新领域, 即谷电子学(valleytronics).     

电场中MgO分子吸附H_2的理论研究

研究电场中MgO分子与H_2的相互作用是探索MgO材料储氢性能的基础.在B3LYP/6-31G**水平上研究了电场中H2在MgO分子上的吸附行为.结果给出电场中单个H_2在Mg/O上的吸附能由无电场时-0.021/-0.099eV提高到场强为0.005a.u.时的-0.037/-0.139eV.H2吸附在O离子上时,电场效应更显著.电场中MgO分子最多能吸附10个H_2,相应的质量密度达33wt%.表明电场诱导MgO材料吸附H_2是一种具有潜力的储氢方法.通过电子结构分析讨论了电场中MgO分子储氢的机理.     

介质材料二次电子发射特性对微波击穿的影响

以介质填充的平行板放电结构为例,本文主要研究了介质填充后微波低气压放电和微放电的物理过程.为了探究介质材料特性对微波低气压放电和微放电阈值的影响,本文采用自主研发的二次电子发射特性测量装置,测量了7种常见介质材料的二次电子发射系数和二次电子能谱.依据二次电子发射过程中介质表面正带电的稳定条件,计算了介质材料稳态表面电位与二次电子发射系数以及能谱参数的关系.在放电结构中引入与表面电位相应的等效直流电场后,依据电子扩散模型和微放电中电子谐振条件,分别探讨了介质表面稳态表面电位的大小对微波低气压放电和微放电阈值的影响.结果表明,介质材料的二次电子发射系数以及能谱参数越大,介质材料的稳态表面电位也越大,对应的微波低气压放电和微放电阈值也越大.所得结论对于填充介质的选择有一定的理论指导价值.     

功能聚合物:从薄膜器件到纳米器件

文章简要回顾了功能聚合物的发现和发展历程,着重介绍了其在发光二极管、太阳能电池、场效应晶体管、传感器件、纳米材料与器件中的应用。     

Ir(PPY)3掺杂PVK的电致发光机理

近几年来发展起来的电致磷光(electrophosphorescence)是有机发光二极管(OLED)研究的新生长点。对电致磷光发光机理的研究随即得到了人们普遍的关注。比较了不同正向偏压条件下Ir(PPY)₃掺杂聚乙烯基咔唑(PVK)的光致发光(PL)和电致发光(EL)光谱。研究结果显示在电场和注入电流的共同作用下,PL光谱中基质PVK发光的相对强度并没有发生显著的变化。电场或注入载流子不会影响PVK向Ir(PPY)₃的能量传递。磷光掺杂聚合物EL主要是由于载流子在掺杂磷光分子上的直接复合,而不是由基质向磷光掺杂分子的能量传递。     

Recent development and status of magnetoelectric materials and devices

The magnetoelectric (ME) materials and related devices have been attracting increasing research attention over the last few years. They exhibit strong ME coupling effect at room temperature, and electric field control of magnetization or magnetic field control of ferroelectric polarization can be achieved. The ME coupling effect brings novel functionalities to develop ultra-fast, low-power, and miniaturized electronics. Recent progress shows the performance of ME materials is further improved and the materials are used to develop many new types of electronics such as high-speed memory, radio frequency resonator, compact ME antenna, and weak magnetic field sensor. In this review, we present the overview in those fields with emphasis on both the opportunities and challenges for the application of ME materials and devices in the cutting-edge technologies.     

低场低能区金刚石内载流子飞行时间的蒙特卡洛模拟

金刚石是一种重要的宽禁带半导体材料,对金刚石内载流子输运过程的研究将有助于了解金刚石用作各种电子器件的潜能。利用Monte Carlo模拟方法,研究了在低场低能区金刚石内载流子的飞行时间。在模拟中考虑了抛物线型能带模型和声学声子散射机制,以及样品对光的吸收和载流子在Brillouin区边界的Bragg反射。通过模拟,得到了低场低能区金刚石材料内载流子的飞行时间分布,并与相关的实验结果进行了比较分析,验证了该模拟模型的正确性。研究结果表明,在低场低能区,金刚石材料内主要的散射机制是声学声子散射。在研究金刚石材料内载流子的迁移输运问题时,可以采用较为简单的抛物线型能带模型,但在研究薄样品中的载流子输运时应当考虑材料的光吸收对初始载流子分布的影响,而且在场强较高以及样品厚度较大时,应当考虑载流子在Brillouin区边界的Bragg反射。     

Enhancement of the diffraction efficiency of the hologram recorded in photorefractive media under the action of external electric field

Diffraction efficiency as a function of the applied electric field for the non-linear regime has been calculated by solving numerically the beam coupling equations. The refractive index variation used in the beam coupling equations was calculated directly from the material rate equations via the total space charge field. The diffraction efficiency of the holograms recorded in photorefractive media is not only a function of the applied external electric field but also a function of crystal thickness, diffusion field, reduced fringe contrast modulation ratio and absorption coefficient of the materials. The effects of these parameters on the efficiency of the holograms have been studied in details. In the absence of the external applied field, it is found that the diffraction efficiency of the holograms could be maximized for a thinner photorefractive crystal having lower absorption coefficient and higher value of diffusion field, which could exist at a much lower value of reduced fringe contrast modulation ratio of the index grating. More efficient holograms can be recorded in the presence of the externally applied electric field as compared to the case of no external field.     

Ultra-low dielectric performance of polymer electrospun nanofiber mats

Nanofiber membranes of five different kinds of polymers have been prepared. The results of dielectric constant (k) measurements reveal that k-values of the polymers can be reduced dramatically by the electrospinning technique. The effects of the polymer types, the densities of the membranes, and the diameters of the fibers on the reducing of k-values have been investigated. It turns out that the unique microporous structures in the electrospun fiber films play an important role in decreasing the k-values of the polymer films. We anticipate that such a facile and general method may be applied to prepare ultra-low-dielectric-constant materials with potential application in the field of microelectronics.