They show some novel optical and electronic properties.
它们皆具有特殊的光学和电学性质。
The solvent effects on geometrical and electronic properties of pNA molecule are further considered.
然后又考虑了溶剂效应对分子电子结构的影响，计算了溶剂效应下分子的电子结构。
Photovoltaic spectra is a very useful tool to study the electronic properties of semiconductor material .
光伏效应是研究电学性质的一种很重要的方法。
The third chapter discusses two methods to manipulate the electronic properties of zigzag graphene nanoribbon.
第三章讨论了锯齿型石墨烯纳米带电子结构调控的两种方法；
Based on different electronic properties, carbon nanotubes can be classified into metallic and semiconducting types.
根据导电性质的不同，碳纳米管可分为金属型和半导体型。
The effect of tensile and torsional strains on electronic properties of small diameter armchair SWNT has been discussed.
分析了拉伸和扭转形变对小直径扶手椅型SWNT的电子性质的影响。
An in-depth investigation on the optical and electronic properties of a series of cyclometalated iridium phosphors was provided here.
本文深入研究了一系列含铱磷光化合物的光电性质。
The results show that herbicidal activity is closely related to the steric and electronic properties of the 5-position of the benzene ring.
结果表明，此类磺酰脲类化合物的除草活性与苯环5位取代基的立体结构和电场性质密切相关。
Fullerene and carbon nanotubes have attracted much attention of the researchers due to their unique structure and rich electronic properties.
富勒烯和碳纳米管以其独特的几何结构和丰富的电子特性引起了科研工作者的广泛关注。
In chapter 3, we introduce two methods to control the electronic properties: applying transverse electric field and modifying by chemical group.
第三章中讨论了两种调节锯齿型石墨烯纳米带电子结构的方法：施加横向电场和对边界进行化学修饰。
As a new functional material with special optical and electronic properties, ruthenium complexes are developing into an interesting research field.
有机钌络合物和有机钌聚合物具有特殊的光、电性能，是一种新型功能材料，正在形成一个新的研究领域。
The team measured the electronic properties of a thin film made of zinc oxide nanoparticles before and after coating its surface with aluminum oxide.
这个团队测量了在由氧化锌纳米颗粒构成的薄膜表面上涂敷氧化铝前后的电子性质。
The electronic properties of the molecule are calculated using the B3LYP functional while excited singlet and triplet states are examined using TD-B3LYP.
用B3LYP方法计算了分子的电子性质，用TD-B3LYP方法计算了单重激发态和三重激发态能量。
The few-body theory has been extended to study the electronic properties of the quantum dots subjected to a magnetic field, which contains three electrons.
原子和核结构的少体理论方法改进后用以研究磁场下包含三个电子的二维量子点的电子性质。
ITS electronic properties were characterized by ESR spectra, and furthermore, the reaction mechanism of NITS has been first studied by electrochemical analysis.
NITS的电学性质经电子顺磁谱表征，并首次利用电化学分析探讨了其反应机理。
In this thesis, a first principles study of the electronic properties and mechanical properties of transition metals, transition metal carbides and nitrides is presented.
过渡金属碳化物和氮化物具有高硬度、高熔点、耐磨损和耐腐蚀的优良特性，被广泛应用于切削刀具和用作硬质涂层。
Reductions of lattice spacing and force constants between atoms induce modifications in the band structures of solids and thus in electronic properties and optical properties.
晶格常数和原子间力常数的改变影响了相邻电子轨道的重合程度，引发电子能级和光学性质的变化。
The researchers were trying to make compounds with novel electronic properties, mixing manganese oxide, which is black, with other chemicals and heating them to high temperatures.
研究者们正在试图通过混合黑色的锰氧化物和其它的化学品，并且将它们加热到高的温度，来制造具有异常电子特性的化合物。
The electronic properties of the polymers and their model compounds are well correlated with the acceptor strength, coplanarity of the backbone, and intramolecular charge transfer.
的电子性质的聚合物和它们的模型化合物的良好的相关性与承兑人强度，骨干的共面性，和分子内电荷转移。
Secondly, the geometric structures, stability and electronic properties of carbon nanoscrolls are calculated by using the first principles density functional calculation package CASTEP.
其次，采用第一性原理密度泛函软件包CASTEP计了算碳纳米卷的几何结构、稳定性以及电子属性。
They are a novel class of electronic materials which combine the optical and electronic properties of semiconductors with the processing advantages and mechanical properties of polymers.
有机电子材料作为一种新型电子材料，不但具备半导体的光学和电学特性，而且保留了有机物优良的加工处理和机械性能。
Graphene not only is the thinnest material in the world, but also has a number of very peculiar electronic properties which make it a promising candidate for future electronic applications.
石墨烯不仅是现今最薄的材料，而且具有非常奇特的电子性质，这些电子特性使石墨烯可以作为未来理想电子器件的首选材料。
Carbon nanotubes, as low dimensional structures, have unique electronic properties, and are considered to have great potential applications in both nanotechnology and nanoscale engineering.
碳纳米管作为一种重要的低维纳米材料，具有独特的电子性质，在纳米技术中具有广阔的应用前景。
Quantum dots (QDs), with zero-dimensional electronic properties, have stimulated great interest due to their important roles in fundamental physical research and for developing novel devices.
由于半导体量子点具有零维电子特性，它不仅成为基本物理研究的重要对象，也成为研制新一代量子器件的基础。
In contrast to the conventional hydrogen bond and the blue-shifting hydrogen bond, the topological and electronic properties and the origin of blue-shifting halogen bond are also investigated.
与传统的氢键以及蓝移氢键相对照，还对蓝移卤键的拓扑性质、电子结构性质以及起源进行了详细的研究。
Compared with hollow CNTs, the filled CNTs generally present the high strength both in axial and radial directions, also have exotic optical and electronic properties different from hollow CNTs.
研究发现，与空管相比，填充碳纳米管常常表现出更强的轴向和径向强度以及不同于常规材料的光电学性质。
How to predict the pit growth behavior by introducing pit growth kinetics is summarized, and some properties of passive film, such as semi conductive and electronic properties, are also discussed.
对如何通过研究铝的点蚀扩展动力学来预测点蚀扩展行为，同时对钝化膜的半导体性能、电子性能进行了概述。
The synthesis of PPV and its derivatives are described. Their electronic properties and nonlinear luminescence are discussed. Potential commercial usage of PPV and its derivatives are also presented.
本文介绍了PPV及其衍生物的合成方法、电学性质、非线性光学性质及应用。
Because of these properties, many researchers believe that graphene could replace silicon as the electronic material of the future.
由于这些特性，许多研究者认为，石墨烯可取代硅作为未来的电子材料。
Because of these properties, many researchers believe that graphene could replace silicon as the electronic material of the future.
由于这些特性，许多研究者认为，石墨烯可取代硅作为未来的电子材料。
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