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(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 总被引:1,自引:0,他引:1
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. 相似文献
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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 相似文献
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我们将芳香性扩展到全金属阴离子团簇La2-4.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La2-4环呈现强芳香性.详细的分子轨道(Mos)分析揭示正方形的La2-4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. 相似文献
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Solar broadband metamaterial perfect absorber based on dielectric resonant structure of Ge cone array and InAs film
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Kuang-Ling Guo 《中国物理 B》2021,30(11):114201-114201
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. 相似文献
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"从移动和联通的Femto试点以及商用情况来看,包括Fem to在内的Small cell设备似乎应用得并不是非常快?"黄晓明:Fem to这类的微型基站,在网络架构上,Small Cell采用Iuh架构,与传统基站Iub架构独立,宏微基站间是硬切换,容易导致掉话,影响通话质量,所以,目前仅用于解决应急投诉 相似文献
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Contact resistance asymmetry of amorphous indium–gallium–zinc–oxide thin-film transistors by scanning Kelvin probe microscopy
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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. 相似文献
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