Crystallization-Induced Emission Enhancement of Highly Electron-Deficient Dicyanomethylene-Bridged Triarylboranes

2021 ◽  
Author(s):  
Guanming Liao ◽  
Jia Zhang ◽  
Xiaoyan Zheng ◽  
Xiaodi Jia ◽  
Jialiang Xu ◽  
...  
Keyword(s):  
Dft Calculation ◽  
Block Shaped Crystal ◽  
Emission Enhancement

A highly electron-deficient dicyanomethylene-bridged triarylborane, FMesB-TCN, was reported with low-lying LUMO and crystallization-induced emission enhancement in its block-shaped crystal. DFT calculation revealed less re-organization energy of block crystal than that...

Size-dependent emission of a dipole coupled to a metal nanoparticle

MRS Advances ◽  
2020 ◽  
Vol 5 (62) ◽  
pp. 3315-3325
Author(s):  
Viktoriia Savchuk ◽  
Arthur R. Knize ◽  
Pavlo Pinchuk ◽  
Anatoliy O. Pinchuk
Keyword(s):  
Numerical Analysis ◽  
Quantum Yield ◽  
Electric Dipole ◽  
Incident Radiation ◽  
Metal Nanoparticle ◽  
Plasmonic Nanoparticle ◽  
Size Dependent ◽  
Emission Enhancement ◽  
Electric Dipoles

AbstractWe present a systematic numerical analysis of the quantum yield of an electric dipole coupled to a plasmonic nanoparticle. We observe that the yield is highly dependent on the distance between the electric dipole and the nanoparticle, the size and permittivity of the nanoparticle, and the wavelength of the incident radiation. Our results indicate that enhancement of the quantum yield is only possible for electric dipoles coupled to a nanoparticle with a radius of 20 nm or larger. As the size of the nanoparticle is increased, emission enhancement occurs at wavelengths dependent on the coupling distance.

Solid-state Zwitterionic Tautomerization of 2-((5-methyl-1H-pyrazol-3-yl)methyl)-1H-benzimidazole: Synthesis, Characterization, DFT Calculation and Docking Studies

2021 ◽  
pp. 130231
Author(s):  
Laila El Foujji ◽  
Khadija El Bourakadi ◽  
El Mokhtar Essassi ◽  
René T. Boeré ◽  
Abou el kacem Qaiss ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculation ◽  
Docking Studies

DFT calculation of square MoS2 nanotubes

2021 ◽  
Vol 130 ◽  
pp. 114693
Author(s):  
Meiqi Zhang ◽  
Mengting Weng ◽  
Takahiro Tamura ◽  
Manami Goto ◽  
Ichiro Yamane ◽  
...  
Keyword(s):  
Dft Calculation ◽  
Mos2 Nanotubes
Sign in / Sign up

Export Citation Format

Share Document