scholarly journals A Modular Class of Fluorescent Difluoroboranes: Synthesis, Structure, Optical Properties, Theoretical Calculations and Applications for Biological Imaging

2016 ◽  
Vol 22 (35) ◽  
pp. 12430-12438 ◽  
Author(s):  
Sylvestre P. J. T. Bachollet ◽  
Daniel Volz ◽  
Béla Fiser ◽  
Stephan Münch ◽  
Franziska Rönicke ◽  
...  
Keyword(s):  
Optical Properties ◽  
Theoretical Calculations ◽  
Biological Imaging ◽  
Modular Class

Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Properties and Molecular Nonlinearity

2020 ◽  
Author(s):  
Zeyu Liu ◽  
Shugui Hua ◽  
Tian Lu ◽  
Ziqi Tian
Keyword(s):  
Optical Properties ◽  
Rational Design ◽  
Rayleigh Scattering ◽  
Function Analysis ◽  
Theoretical Calculations ◽  
Photophysical Properties ◽  
Optical Nonlinearity ◽  
Nonlinear Properties ◽  
Photoelectric Performance ◽  
Wave Function Analysis

Inspired by a previous experimental study on the first-order hyperpolarizabilities of 1,3-thiazolium-5-thiolates mesoionic compounds using Hyper-Rayleigh scattering technique, we theoretically investigated the UV-Vis absorption spectra and every order polarizabilities of these mesoionic molecules. Based on the fact that the photophysical and nonlinear properties observed in the experiment can be perfectly replicated, our theoretical calculations explored the essential characteristics of the optical properties of the mesoionic compounds with different electron-donating groups at the level of electronic structures through various wave function analysis methods. The influence of the electron-donating ability of the donor on the optical properties of the molecules and the contribution of the mesoionic ring moiety to their optical nonlinearity are clarified, which have not been reported by any research so far. This work will help people understand the nature of optical properties of mesoionic-based molecules and provide guidance for the rational design of molecules with excellent photoelectric performance in the future.

Synthesis, spectral, optical properties and theoretical calculations on schiff bases ligands containing o-tolidine

2016 ◽  
Vol 56 ◽  
pp. 116-120 ◽  
Author(s):  
S. Arroudj ◽  
M. Bouchouit ◽  
K. Bouchouit ◽  
A. Bouraiou ◽  
L. Messaadia ◽  
...  
Keyword(s):  
Optical Properties ◽  
Schiff Bases ◽  
Theoretical Calculations

Temperature dependence of the optical properties in p-Cd0.96Zn0.04Te single crystals

2001 ◽  
Vol 16 (8) ◽  
pp. 2196-2199 ◽  
Author(s):  
H. Y. Lee ◽  
T. W. Kang ◽  
T. W. Kim
Keyword(s):  
Optical Properties ◽  
Temperature Dependence ◽  
Single Crystals ◽  
Reasonable Agreement ◽  
Theoretical Calculations ◽  
Optoelectronic Devices ◽  
Activation Energies ◽  
Acoustic Parameters ◽  
Longitudinal Acoustic ◽  
Pl Spectra

Photoluminescence (PL) measurements were performed on p-Cd0.96Zn0.04Te single crystals to investigate the dependence of the excitons on temperature. The activation energies and the longitudinal acoustic parameters of the excitons were determined from the temperature dependence of the PL spectra and were in reasonable agreement with the theoretical calculations. These results can help improve understanding for the application of p-CdxZn1–xTe single crystals in optoelectronic devices.

Probe of the Band Structure of MBE Grown p-Type InMnAs at Ultrahigh Magnetic Fields

SPIN ◽  
2015 ◽  
Vol 05 (01) ◽  
pp. 1550002 ◽  
Author(s):  
Y. Sun ◽  
F. V. Kyrychenko ◽  
G. D. Sanders ◽  
C. J. Stanton ◽  
G. A. Khodaparast ◽  
...  
Keyword(s):  
Optical Properties ◽  
Magnetic Fields ◽  
Band Structure ◽  
Heavy Hole ◽  
Theoretical Calculations ◽  
Interaction Strength ◽  
Golden Rule ◽  
Exchange Interactions ◽  
Landau Levels ◽  
P Type

We present a theoretical and experimental study on electronic and magneto-optical properties of p-type paramagnetic InMnAs dilute magnetic semiconductor (DMS) alloys in ultrahigh (> 100 T) external magnetic fields (B). Theoretical calculations are based on an 8-band Pidgeon–Brown model which is generalized to include the wavevector dependence of the electronic states along B as well as s–d and p–d exchange interactions with localized Mn d-electrons. The spin-dependent electronic structure as a function of Mn doping is computed and the dependence of the valence band structure on parameters such as the sp–d exchange interaction strength and effective masses in paramagnetic p- InMnAs alloys are examined. The cyclotron resonance (CR) and magneto-optical properties of InMnAs are calculated using Fermi's golden rule. Two strong CR peaks are observed in p-type InMnAs alloys which correspond to the transitions within either heavy-hole (HH) or light-hole (LH) Landau levels. Furthermore, we also observed strong resonance absorption for electron-active polarization which can occur in p-type semiconductors originating from transitions between the light and heavy hole Landau levels.

π-Spacer-Linked Bisthienopyrroles with Tunable Optical Properties

Synlett ◽  
2018 ◽  
Vol 29 (19) ◽  
pp. 2567-2571 ◽  
Author(s):  
Mihaela Stefan ◽  
Chandima Bulumulla ◽  
Ruwan Gunawardhana ◽  
Prabhath Gamage ◽  
Ruvanthi Kularatne ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Optical Properties ◽  
Electrochemical Properties ◽  
Organic Semiconductors ◽  
Building Block ◽  
Theoretical Calculations ◽  
Synthesis And Characterization ◽  
Tunable Optical Properties

Thieno[3,2-b]pyrrole is an effective nonconventional semiconducting building block that could be generated in gram quantities with relatively high overall yields. Three organic semiconductors containing thieno[3,2-b]pyrrole were synthesized in good yields without requiring time-consuming column purifications. The synthesis, optical and electrochemical properties were systematically investigated.1 Introduction2 Experimental3 Synthesis and Characterization4 Theoretical Calculations5 Optical and Electrochemical Properties6 Thermal Stability7 Fluorescence Experiments8 GIXRD Data9 Conclusions

scholarly journals Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens

2018 ◽  
Vol 2 (12) ◽  
pp. 2263-2271 ◽  
Author(s):  
Jianbo Xiong ◽  
Xinyue Li ◽  
Chunqing Yuan ◽  
Sergey Semin ◽  
Zhaoquan Yao ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Calculations ◽  
Experimental Results ◽  
Nlo Properties ◽  
Aggregation Induced Emission ◽  
Non Linear ◽  
Potential Applications ◽  
Linear Optical Properties ◽  
Linear Optical

Studies of the non-linear optical properties of classical AIEgens are rare, despite their important potential applications in organic composite photonic circuits. Here, we present experimental results, supported by theoretical calculations, of the non-linear optical (NLO) properties of TPE and its halogenated derivates.

scholarly journals Nanoplasmon–Semiconductor Hybrid for Interface Catalysis

Catalysts ◽  
2018 ◽  
Vol 8 (10) ◽  
pp. 429 ◽  
Author(s):  
Jingang Wang ◽  
Naixing Feng ◽  
Ying Sun ◽  
Xijiao Mu
Keyword(s):  
Optical Properties ◽  
Metal Oxide ◽  
Noble Metal ◽  
Hybrid System ◽  
Physical Mechanism ◽  
Theoretical Calculations ◽  
Experimental Investigations ◽  
Exciton Coupling ◽  
Surface Catalysis ◽  
Metal Metal

We firstly, in this review, introduce the optical properties of plasmonic metals, and then focus on introducing the unique optical properties of the noble metal–metal-oxide hybrid system by revealing the physical mechanism of plasmon–exciton interaction, which was confirmed by theoretical calculations and experimental investigations. With this noble metal–metal-oxide hybrid system, plasmonic nanostructure–semiconductor exciton coupling interactions for interface catalysis has been analyzed in detail. This review can provide a deeper understanding of the physical mechanism of exciton–plasmon interactions in surface catalysis reactions.

Second-order nonlinear optical properties of [60]fullerene-fused dihydrocarboline derivates: a theoretical study on switch effect

2019 ◽  
Vol 7 (42) ◽  
pp. 13052-13058 ◽  
Author(s):  
Nana Ma ◽  
Mingyue Lv ◽  
Tongxin Liu ◽  
Mengxiao Song ◽  
Yan Liu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Theoretical Calculations ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
First Hyperpolarizability

The theoretical calculations show that [60]fullerene-fused dihydrocarboline derivatives exhibit significant first hyperpolarizability contrasts induced by their electrochemical feature.

scholarly journals Effect of Electronic Correlations on the Electronic Structure, Magnetic and Optical Properties of the Ternary RCuGe Compounds with R = Tb, Dy, Ho, Er

Materials ◽  
2020 ◽  
Vol 13 (16) ◽  
pp. 3536
Author(s):  
Alexey V. Lukoyanov ◽  
Lubov N. Gramateeva ◽  
Yury V. Knyazev ◽  
Yury I. Kuz’min ◽  
Sachin Gupta ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Theoretical Calculations ◽  
Rare Earth Ions ◽  
Local Spin Density Approximation ◽  
Electron Correlations ◽  
Absorption Region ◽  
Densities Of States ◽  
Interband Light Absorption ◽  
Good Agreement

In this study, the ab initio and experimental results for RCuGe ternary intermetallics were reported for R = Tb, Dy, Ho, Er. Our theoretical calculations of the electronic structure, employing local spin density approximation accounting for electron–electron correlations in the 4f shell of Tb, Dy, Ho, Er ions were carried in DFT+U method. The optical properties of the RCuGe ternary compounds were studied at a broad range of wavelengths. The spectral and electronic characteristics were obtained. The theoretical electron densities of states were taken to interpret the experimental energy dependencies of the experimental optical conductivity in the interband light–absorption region. From the band calculations, the 4f shell of the rare-earth ions was shown to provide the major contribution to the electronic structure, magnetic and optical properties of the RCuGe intermetallics. The accounting for electron–electron correlations in Tb, Dy, Ho, Er resulted in a good agreement between the calculated and experimental magnetic and optical characteristics.

Electron–Intramolecular Vibration Coupling in Charge-Transfer Salts Studied by Infrared Spectroscopy

1998 ◽  
Vol 12 (16n17) ◽  
pp. 1643-1672 ◽  
Author(s):  
V. M. Yartsev ◽  
A. Graja
Keyword(s):  
Optical Properties ◽  
Infrared Spectroscopy ◽  
Charge Transfer ◽  
Theoretical Calculations ◽  
Molecular Crystals ◽  
Molecular Vibration ◽  
Short Discussion ◽  
Intramolecular Vibration ◽  
Charge Transfer Salts ◽  
Vibration Coupling

A short discussion of theoretical calculations of the optical properties of quasi-one and quasi-bidimensional molecular crystals is presented. Special attention is devoted to the electron–molecular vibration coupling which is analyzed in charge-transfer salts with tetrathiafulvalene (TTF) derivatives (including giant analoges of TTF) as donor components.

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