首页 | 本学科首页   官方微博 | 高级检索  
文章检索
  按 检索   检索词:      
出版年份:   被引次数:   他引次数: 提示:输入*表示无穷大
  免费   1篇
  国内免费   4篇
物理学   5篇
  2022年   1篇
  2021年   1篇
  2018年   1篇
  2016年   1篇
  2015年   1篇
排序方式: 共有5条查询结果,搜索用时 15 毫秒
1
1.
双光子荧光染料分子在生物医学成像中具有广阔的应用前景,但取代效应对分子结构以及光物理性质影响的探求相对匮乏. 本文设计并研究了一系列脂滴检测染料分子,分析了分子的光学性质以及无辐射跃迁等. 通过分子内弱相互作用和电子- 空穴布居分析,阐述了其内在机理. 结果表明,所研究的分子均具有优良的光物理性能、高效荧光量子产量、大的斯托克斯位移以及显著的双光子吸收截面等. 本工作合理地解释了实验现象并阐述了取代效应对脂滴检测NAPBr染料分子的双光子吸收和激发态性质的影响,这为设计新型的高效有机分子提供了理论指导.  相似文献   
2.
利用时域有限差分法数值求解速率-场强方程,研究了一系列共价连接的氧化石墨烯-卟啉复合材料在纳秒时域内的光限幅性质和双光子吸收. 计算结果表明,氧化石墨烯-卟啉复合分子与单独的卟啉分子相比展现出增强的光限幅效应,并且有着更大的双光子吸收截面.与之前得到的含重金属的卟啉分子具有更强非线性光学性质的结论不同,不含金属元素的卟啉分子与氧化石墨烯结合后展现出了更强的非线性光学性质. 理论计算的结果与实验测量符合较好. 此外,着重研究了介质的厚度和脉冲宽度对分子双光子吸收截面的影响. 结果表明,随着介质厚度的增加或者脉宽的变宽分子的动态双光子吸收截面增大.  相似文献   
3.
Mu-Zhen Li 《中国物理 B》2021,30(12):123302-123302
Thermally activated delayed fluorescence (TADF) molecules have attracted great attention as high efficient luminescent materials. Most of TADF molecules possess small energy gap between the first singlet excited state (S1) and the first triplet excited state (T1) to favor the up-conversion from T1 to S1. In this paper, a new TADF generation mechanism is revealed based on theoretical simulation. By systematic study of the light-emitting properties of SOBF-OMe in both toluene and in aggregation state, we find that the single SOBF-OMe could not realize TADF emission due to large energy gap as well as small up-conversion rates between S1 and T1. Through analysis of dimers, we find that dimers with intermolecular hydrogen bond (H-bond) are responsible for the generation of TADF, since smaller energy gap between S1 and T1 is found and the emission wavelength is in good agreement with experimental counterpart. The emission properties of SOBF-H are also studied for comparison, which reflect the important role of H-bond. Our theoretical results agree ith experimental results well and confirm the mechanism of H-bond induced TADF.  相似文献   
4.
Three kinds of triazine based organic molecules designed for thermally activated delayed fluorescence (TADF) emitters are investigated by first-principles calculations. An optimal Hartree-Fork (HF) method is adopted for the calculation of energy gap between the first singlet state (S1) and the first triplet state (T1). The natural transition orbital, the electronhole (e-h) distribution and the e-h overlap diagram indicate that the S1 states for the three systems include both charge-transfer and some localized excitation component. Further quantitative analysis of the excitation property is performed by introducing the index Δr and the integral of e-h overlap S. It is found that symmetric geometry is a necessary condition for TADF emitters, which can provide more delocalized transition orbitals and consequently a small S1-T1 energy gap. Artful inserting aromatic groups between donors and acceptors can significantly enhance the oscillator strength. Finally, the energy state structures calculated with the optimal HF method is presented, which can provide basis for the study of the dynamics of excited states.  相似文献   
5.
本文基于第一性原理,研究了八个热活化延迟荧光分子的性质,揭示了基团供电子能力对分子几何构型、跃迁属性以及反系间窜越过程的影响.研究结果表明,对于咔唑和氧杂蒽酮组成的一类分子的最低三重激发态(T1)而言,供体基团的二苯胺取代,几乎不会改变供体和受体之间的夹角,但却可以减小供体和受体间的键长.基团供电子能力越强,最高占据分子轨道(HOMO)和最低未占据分子轨道(LUMO)间的轨道重叠度越小,最低单重激发态S1和T1之间的能差(△ES1-T1)越小.此外,供体基团上增加二苯胺能够增加HOMO的离域性,而且能够进一步地减小△ES1-T1.通过计算S1和T1之间的旋轨耦合系数(Hso),发现(<S1so|T1>2)/(△ES1-T12)数值越大,反系间窜越速率越大.计算表明八个分子都可能是高效的热活化延迟荧光分子.本文提出了一条高效热活化延迟荧光分子的设计策略,即分离HOMO和LUMO的分布和增加HOMO的离域性能够有效地减小S1-T1能差.  相似文献   
1
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号