Rational Design of Monocrystalline (InP)yGe5–2y/Ge/Si(100) Semiconductors: Synthesis and Optical Properties

2013 ◽  
Vol 135 (33) ◽  
pp. 12388-12399 ◽  
Author(s):  
Patrick E. Sims ◽  
Andrew V.G. Chizmeshya ◽  
Liying Jiang ◽  
Richard T. Beeler ◽  
Christian D. Poweleit ◽  
...  
Keyword(s):  
Optical Properties ◽  
Rational Design

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.

Rational design of HA-AuNPs@AIEDs nanoassembly for activatable fluorescence detection of HAase and imaging in tumor cells.

2021 ◽  
Author(s):  
Shenglan Wang ◽  
Chong-Hua Zhang ◽  
Peisheng Zhang ◽  
Shu Chen ◽  
Zhi-ling Song ◽  
...  
Keyword(s):  
Optical Properties ◽  
Tumor Cells ◽  
Fluorescence Detection ◽  
Rational Design ◽  
High Brightness ◽  
Aggregation Induced Emission ◽  
Fluorescence Bioimaging ◽  
In Virtue Of

Aggregation induced emission (AIE) dots have gained broad attention in fluorescence bioimaging and biosensor in virtue of their distinctive optical properties of splendid biocompatibility, high brightness and good photostability. However,...

scholarly journals Effects of External Field Wavelength and Solvation on the Photophysical Property and Optical Nonlinearity of 1,3-Thiazolium-5-Thiolates Mesoionic Compound

2021 ◽  
Author(s):  
Shugui Hua ◽  
Zeyu Liu ◽  
Tian Lu
Keyword(s):  
Optical Properties ◽  
External Field ◽  
Rational Design ◽  
Function Analysis ◽  
Optical Nonlinearity ◽  
Photophysical Property ◽  
Polarizability Tensor ◽  
Mesoionic Compound ◽  
Density Analysis ◽  
Wave Function Analysis

<p>The photophysical property and optical nonlinearity of an electronic push-pull mesoionic compond, 2-(4-trifluoromethophenyl)-3-methyl-4-(4-methoxyphenyl)-1,3-thiazole-5-thiolate were theoretically investigated with a reliable computing strategy. The essence of the optical properties were then explored through a variety of wave function analysis methods, such as the natural transition orbital analysis, hole-electron analysis, (hyper)polarizability density analysis, decomposition of the (hyper)polarizability contribution by numerical integration, and (hyper)polarizability tensor analysis, at the level of electronic structures. The influence of the electric field and solvation on the electron absorption spectra and (hyper)polarizabilities of the molecule are highlighted and clarified. This work will help people to understand the influence of external field wavelength and solvent on the optical properties of mesoionic-based molecules, and provide a theoretical reference for the rational design of chromophores with adjustable properties in the future.<br></p><br>

scholarly journals Hg2+ Detection with Rational Design of DNA-Templated Fluorescent Silver Nanoclusters

Processes ◽  
2021 ◽  
Vol 9 (10) ◽  
pp. 1699
Author(s):  
Liam Yourston ◽  
Polikron Dhoqina ◽  
Nolan Marshall ◽  
Rujani Mahmud ◽  
Ethen Kuether ◽  
...  
Keyword(s):  
Optical Properties ◽  
Rational Design ◽  
Visible Spectral Range ◽  
Silver Nanoclusters ◽  
Hairpin Loop ◽  
Fluorescent Properties ◽  
Dna Oligonucleotides ◽  
Loop Sequence ◽  
Detectable Range ◽  
Additional Stability

Atomically precise silver nanoclusters (AgNCs) are small nanostructures consisting of only a few atoms of silver. The combination of AgNCs with cytosine-rich single-stranded oligonucleotides results in DNA-templated silver nanoclusters (DNA-AgNCs). DNA-AgNCs are highly luminescent and can be engineered with reproducible and unique fluorescent properties. Furthermore, using nucleic acids as templates for the synthesis of AgNCs provides additional practical benefits by expanding optical activity beyond the visible spectral range and creating the possibility for color tunability. In this study, we explore DNA oligonucleotides designed to fold into hairpin-loop (HL) structures which modulate optical properties of AgNCs based on the size of the loop containing different number of cytosines (HL-CN). Depending on the size of the loop, AgNCs can be manufactured to have either single or multiple emissive states. Such hairpin-loop structures provide an additional stability for AgNCs and further control over the base composition of the loop, allowing for the rational design of AgNCs’ optical properties. We demonstrate the potential of AgNCs in detecting Hg2+ by utilizing the HL-C13 design and its variants HL-T2C11, HL-T4C9, and HL-T6C7. The replacement of cytosines with thymines in the loop was intended to serve as an additional sink for mercury ions extending the detectable range of Hg2+. While AgNC@HL-T0C13 exhibits an interpretable quenching curve, AgNC@HL-T6C7 provides the largest detectable range of Hg2+. The results presented herein suggest that it is possible to use a rational design of DNA-AgNCs based on the composition of loop sequence in HL structures for creating biosensors to detect heavy metals, particularly Hg2+.

scholarly journals A voltage-dependent fluorescent indicator for optogenetic applications, archaerhodopsin-3: Structure and optical properties from in silico modeling

F1000Research ◽  
2017 ◽  
Vol 6 ◽  
pp. 33 ◽  
Author(s):  
Dmitrii M. Nikolaev ◽  
Anton Emelyanov ◽  
Vitaly M. Boitsov ◽  
Maxim S Panov ◽  
Mikhail N. Ryazantsev
Keyword(s):  
Optical Properties ◽  
Rational Design ◽  
Molecular Design ◽  
Hybrid Approach ◽  
Three Dimensional ◽  
Membrane Voltage ◽  
Dimensional Structure ◽  
Fluorescent Indicators ◽  
Voltage Dependent ◽  
High Level

It was demonstrated in recent studies that some rhodopsins can be used in optogenetics as fluorescent indicators of membrane voltage. One of the promising candidates for these applications is archaerhodopsin-3. However, the fluorescent signal for wild-type achaerhodopsin-3 is not strong enough for real applications. Rational design of mutants with an improved signal is an important task, which requires both experimental and theoretical studies. Herein, we used a homology-based computational approach to predict the three-dimensional structure of archaerhodopsin-3, and a Quantum Mechanics/Molecular Mechanics (QM/MM) hybrid approach with high-level multireference ab initio methodology (SORCI+Q/AMBER) to model optical properties of this protein. We demonstrated that this methodology allows for reliable prediction of structure and spectral properties of archaerhodopsin-3. The results of this study can be utilized for computational molecular design of efficient fluorescent indicators of membrane voltage for modern optogenetics on the basis of archaerhodopsin-3.

scholarly journals Positional Effect of π-extension in Triple Helicenes

2021 ◽  
Author(s):  
Alex van der Ham ◽  
Thomas Hansen ◽  
Hermen S. Overkleeft ◽  
Trevor A. Hamlin ◽  
Dmitri V. Filippov ◽  
...  
Keyword(s):  
Optical Properties ◽  
Rational Design ◽  
Marked Effect ◽  
Chemical Properties ◽  
Spectroscopic Properties ◽  
Positional Effect ◽  
Physico Chemical ◽  
Optical Applications ◽  
High Level ◽  
Vt Nmr

The targeted application of multiple helicenes in photo-optical applications requires their rational design. Toward this goal, we report on the synthesis of pyrene-based triple helicene 1 and investigate the positional effect of extension of the π-conjugated system on the photo-chemical and chiro-optical properties of triple helicenes. The conformational and aggregatory behavior of 1 were studied both experimentally using VT NMR spectroscopy and computationally using high-level DFT computations. Although π-extension was observed to have a marked effect on the spectroscopic properties of triple helicenes, comparison with other known π-extended helicenes reveals that the position at which π-extension is introduced is only of nominal importance. Our results thus suggest that the presence of a particular helicene motif is dominant in dictating the physico-chemical properties of triple helicenes.

A Rational Design of Catechol-Based Compounds: An Experimental and Theoretical Study of Optical Properties

2009 ◽  
Vol 15 (20) ◽  
pp. 5047-5055 ◽  
Author(s):  
Christophe Aronica ◽  
Anna Venancio-Marques ◽  
Jérôme Chauvin ◽  
Vincent Robert ◽  
Gilles Lemercier
Keyword(s):  
Optical Properties ◽  
Rational Design ◽  
Theoretical Study

scholarly journals A review of 2D and 3D plasmonic nanostructure array patterns: fabrication, light management and sensing applications

Nanophotonics ◽  
2019 ◽  
Vol 8 (12) ◽  
pp. 2065-2089 ◽  
Author(s):  
Sujan Kasani ◽  
Kathrine Curtin ◽  
Nianqiang Wu
Keyword(s):  
Optical Properties ◽  
Surface Plasmon Resonance ◽  
Surface Plasmon ◽  
Plasmon Resonance ◽  
Nanoimprint Lithography ◽  
Rational Design ◽  
Guided Wave ◽  
Sensing Applications ◽  
Light Management ◽  
Nanostructure Array

AbstractThis review article discusses progress in surface plasmon resonance (SPR) of two-dimensional (2D) and three-dimensional (3D) chip-based nanostructure array patterns. Recent advancements in fabrication techniques for nano-arrays have endowed researchers with tools to explore a material’s plasmonic optical properties. In this review, fabrication techniques including electron-beam lithography, focused-ion lithography, dip-pen lithography, laser interference lithography, nanosphere lithography, nanoimprint lithography, and anodic aluminum oxide (AAO) template-based lithography are introduced and discussed. Nano-arrays have gained increased attention because of their optical property dependency (light-matter interactions) on size, shape, and periodicity. In particular, nano-array architectures can be tailored to produce and tune plasmonic modes such as localized surface plasmon resonance (LSPR), surface plasmon polariton (SPP), extraordinary transmission, surface lattice resonance (SLR), Fano resonance, plasmonic whispering-gallery modes (WGMs), and plasmonic gap mode. Thus, light management (absorption, scattering, transmission, and guided wave propagation), as well as electromagnetic (EM) field enhancement, can be controlled by rational design and fabrication of plasmonic nano-arrays. Because of their optical properties, these plasmonic modes can be utilized for designing plasmonic sensors and surface-enhanced Raman scattering (SERS) sensors.

scholarly journals Positional Effect of π-extension in Triple Helicenes

2021 ◽  
Author(s):  
Alex van der Ham ◽  
Hermen S. Overkleeft ◽  
Dmitri V. Filippov ◽  
Grégory F. Schneider
Keyword(s):  
Optical Properties ◽  
Nmr Spectroscopy ◽  
Rational Design ◽  
Marked Effect ◽  
Chemical Properties ◽  
Positional Effect ◽  
Physico Chemical ◽  
Optical Applications ◽  
High Level ◽  
Vt Nmr

Application of multiple helicenes in photo‐optical applications requires their rational design. We therefore here report on the synthesis of pyrene‐based triple helicene 1, to study the positional effect of extension of the π‐conjugated system on the photo‐chemical and chiro‐optical properties of triple helicenes. The conformational and aggregatory behavior of 1 were studied both experimentally using VT NMR spectroscopy and computationally using high‐level DFT computations. Although π‐extension was observed to have a marked effect on the spectroscopy properties of triple helicenes, comparison with other known π‐extended helicenes reveals that the position at which π‐extension is introduced is only of nominal importance. Our results thus suggest that the presence of a particular helicene motive is dominant in dictating the physico‐chemical properties of triple helicenes.

Sign in / Sign up

Export Citation Format

Share Document