Contact resistance asymmetry of amorphous indium–gallium–zinc–oxide thin-film transistors by scanning Kelvin probe microscopy

In this work, a method based on scanning Kelvin probe microscopy is proposed to separately extract source/drain(S/D) series resistance in operating amorphous indium–gallium–zinc–oxide(a-IGZO) thin-film transistors. The asymmetry behavior of S/D contact resistance is deduced and the underlying physics is discussed. The present results suggest that the asymmetry of S/D contact resistance is caused by the difference in bias conditions of the Schottky-like junction at the contact interface induced by the parasitic reaction between contact metal and a-IGZO. The overall contact resistance should be determined by both the bulk channel resistance of the contact region and the interface properties of the metalsemiconductor junction.     

(E,E)-1,4-双{2''-[5''-(B,B-二甲基苯硼)-2-噻吩基]乙烯基}-苯分子双光子吸收特性的理论研究

在密度泛函水平上,利用响应函数方法,研究了分子的单光子和双光子吸收特性.计算出了该分子在低能量范围内的最大双光子吸收截面为6.47×10-47cm4s/photon,与实验符合的较好.研究结果表明该分子具有较强的双光子吸收特性,是较好的双光子吸收材料.     

Solar broadband metamaterial perfect absorber based on dielectric resonant structure of Ge cone array and InAs film

The broadband metamaterial perfect absorber has been extensively studied due to its excellent characteristics and promising application prospect. In this work a solar broadband metamaterial perfect absorber is proposed based on the structure of the germanium (Ge) cone array and the indium arsenide (InAs) dielectric film on the gold (Au) substrate. The results show that the absorption covers the whole ultraviolet-visible and near-infrared range. For the case of A > 99%, the absorption bandwidth reaches up to 1230 nm with a wavelength range varied from 200 nm to 1430 nm. The proposed absorber is able to absorb more than 98.7% of the solar energy in a solar spectrum from 200 nm to 3000 nm. The electromagnetic dipole resonance and the high-order modes of the Ge cone couple strongly to the incident optical field, which introduces a strong coupling with the solar radiation and produces an ultra-broadband absorption. The absorption spectrum can be feasibly manipulated via tuning the structural parameters, and the polarization insensitivity performance is particularly excellent. The proposed absorber can possess wide applications in active photoelectric effects, thermion modulators, and photoelectric detectors.     

一种新型双共轭链分子非线性光学性质的理论研究

对实验室合成的双共轭链分子1,4-二(4-二乙胺基苯乙烯基)-2-［4-(N-甲基-N-羟乙基)氨基-4′-硝基偶氮苯］-5-己烷氧基苯(BSBAB)及合成它的单共轭链分子的单光子和双光子吸收特性在从头计算的基础上利用密度泛函理论进行了研究.分子BSBAB的优化结构显示，组成该分子的横链和纵链除了保持各自的共轭面外，几近相互垂直.因此，分子BSBAB较好地继承了两个单共轭链分子的光学特性.计算结果表明，在低能量范围内，分子BSBAB具有三个双光子吸收峰，分别来自于两个单共轭链分子以及两者的耦合作用.从理论上证明了双共轭链分子BSBAB是一种具有宽带强双光子吸收的分子材料.理论结果和实验结果符合得较好.在HF水平上的响应函数方法进一步证实了有限态求和方法计算结果的可靠性.还给出了电荷转移态的电荷迁移过程. 关键词： 双光子吸收 双共轭链有机分子 非线性光学     

有机杂环分子的双光子吸收特性

利用少态模型和密度泛函理论计算了新近合成的三个具有有机杂环结构的苯并噻唑衍生物的非线性光学性质. 计算结果表明，随着有机分子的分子电子离域结构的增大，最大吸收峰红移.当共轭链较长时，共轭链的增长对增强分子双光子吸收截面的影响远大于吸电子基强度变化的影响.该类分子具有较好的双光子吸收特性.最后给出了三个分子的电荷转移过程.     

用于指导交流电桥实验调零的矢量数学模型

建立交流电桥的矢量分析模型,用图示法讨论交流电桥实验,从理论上以更加直观明了的方式指导调零步骤、进行实验分析以及计算机模拟.     

矩形封闭腔内非饱和多孔介质的传热传质特性研究

本文建立了矩形封闭腔内非饱和多孔介质的二维传热传质数理模型,并对Ｒ１１３的蒸发相交进行了数值模拟。根据计算结果着重讨论了流体瑞利数Ｒａ,介质达西数Ｄａ以及腔体冷热端温差△Ｔ的变化对其传热传质特性的影响,得出一些有用的可指导工程实践的结论。     

Solvent effects on structure and optical properties of a D- π-A azobenzene dye

Time-dependent hybrid density functional theory in combination with Onsager reaction field model and super-molecular model has been applied to study solvent effects on the geometrical and electronic structures, as well as one/two-photon absorption properties, of 4-（N-（2-hydroxyethyl）-N-methyl）-amino-4＇-nitroazobenzene. It is found that the short-range interaction has a large effect on the electronic structure of the solute molecule, namely, large red-shift of the maximum one-photon absorption is induced by hydrogen bonding. The solute molecule has a large two-photon absorption cross section, which is enhanced by the solvent effect. The computational results are in good agreement with measurements.[第一段]     

一种适用于对称截面的主动式热斗篷的研究

直接求解导热方程对具有自适应热源的可控式热隐身技术进行数值研究，探索热流控制方法及隐身效果，推导出均匀背景下二维对称截面热斗篷热隐身区域自适应热源分布的通解.仿真结果表明：对于任意对称截面斗篷，自适应热源都能使得扰动后的温度场很好地恢复到背景温度场，达到热隐身的目的.     

对全金属La42-团簇芳香性的从头算理论研究

我们将芳香性扩展到全金属阴离子团簇La42-.运用从头算方法(B3LYP/LANL2DZ, B3PW91/LANL2DZ and MP2/LANL2DZ)进行了结构优化.计算结果显示,阴离子团簇有两个同分异构体,一个是C2v结构,另一个是正方形D4h结构.进一步对能量的分析得出,D4h结构比C2v结构更稳定.对最稳定的D4h结构计算了核独立位移(NICS),结果显示正方形的La42-环呈现强芳香性.详细的分子轨道(Mos)分析揭示正方形的La42-环拥有四个独立的离域化成键系统,每一个系统拥有两个电子,分别满足4n + 2芳香性电子计算规则,因此呈现四重芳香性.