Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives

2019 ◽  
Vol 7 (13) ◽  
pp. 3881-3888 ◽  
Author(s):  
Buddhadev Maiti ◽  
Kunlun Wang ◽  
Srijana Bhandari ◽  
Scott D. Bunge ◽  
Robert J. Twieg ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Molecular Level ◽  
Optoelectronic Properties ◽  
Design Approach

Fluorination can be used to tune optoelectronic properties at the molecular level.

scholarly journals Deep Learning for Optoelectronic Properties of Organic Semiconductors

2020 ◽  
Vol 124 (13) ◽  
pp. 7048-7060 ◽  
Author(s):  
Chengqiang Lu ◽  
Qi Liu ◽  
Qiming Sun ◽  
Chang-Yu Hsieh ◽  
Shengyu Zhang ◽  
...  
Keyword(s):  
Deep Learning ◽  
Organic Semiconductors ◽  
Optoelectronic Properties

Optoelectronic properties of oligomers based on tetrazine, benzothiadiazole, benzodithiophene and thiophene moieties for photovoltaic applications: a theoretical study

RSC Advances ◽  
2015 ◽  
Vol 5 (102) ◽  
pp. 83960-83968 ◽  
Author(s):  
Massimo Ottonelli ◽  
Marina Alloisio ◽  
Ivana Moggio ◽  
M. Isabel Martinez Espinosa ◽  
Eduardo Arias
Keyword(s):  
Theoretical Study ◽  
Optoelectronic Properties ◽  
Design Approach ◽  
Organic Photovoltaic ◽  
Photovoltaic Devices ◽  
Organic Photovoltaic Devices ◽  
Theoretical Design ◽  
Photovoltaic Applications

In this article, a fast theoretical design approach for addressing the synthesis of new conjugated co-polymers for applications in organic photovoltaic devices is discussed.

scholarly journals Structural insights into Lewis acid and F4TCNQ doped conjugated polymers by solid-state magnetic resonance spectroscopy

2022 ◽  
Author(s):  
Alana Dixon ◽  
Herve Vezin ◽  
Thuc-Quyen Nguyen ◽  
G. N. Manjunatha Reddy
Keyword(s):  
Solid State ◽  
Magnetic Resonance ◽  
Conjugated Polymers ◽  
Organic Semiconductors ◽  
Carrier Mobility ◽  
Molecular Level ◽  
Charge Carrier Mobility ◽  
Resonance Spectroscopy ◽  
Molecular Doping ◽  
Structural Insights

Molecular doping strategies facilitate orders of magnitudes enhancements in the charge carrier mobility of organic semiconductors (OSCs). Understanding the mechanisms of different doping strategies for OSCs and molecular-level constraints on...

Recent Advance in 1-D Organic Semiconductors for Waveguide Applications

2019 ◽  
Vol 16 (3) ◽  
pp. 244-252 ◽  
Author(s):  
Rong Zhang ◽  
Xiaobei Jin ◽  
Xuwen Wen ◽  
Qi Chen
Keyword(s):  
Small Molecules ◽  
Organic Semiconductors ◽  
Recent Progress ◽  
Optoelectronic Properties ◽  
Size Reduction ◽  
One Dimensional ◽  
Good System ◽  
Ordered Nanostructures ◽  
Morphology Influence

One dimensional (1-D) micro-/nanostructures provide a good system to investigate the dependence of various properties on dimensionality and size reduction, especially in optoelectronic field. Organic conjugates including small molecules and polymers exhibit good optoelectronic properties and are apt to assemble into ordered nanostructures with well-defined shapes, tunable sizes and defect-free structures. In this review, we focus on recent progress of 1-D organic semiconductors for waveguide applications. Fabrication methods and materials of 1-D organic semiconductors are introduced. The morphology influence on the properties is also summarized.

scholarly journals Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective

2017 ◽  
Vol 8 (10) ◽  
pp. 6947-6953 ◽  
Author(s):  
Buddhadev Maiti ◽  
Alexander Schubert ◽  
Sunandan Sarkar ◽  
Srijana Bhandari ◽  
Kunlun Wang ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Organic Semiconductors ◽  
Charge Trapping ◽  
Design Approach ◽  
Quantum Mechanical ◽  
Organic Semiconducting Molecules

Selective fluorination of organic semiconducting molecules can enhance attractive intermolecular interactions without increasing the risk for charge trapping.

scholarly journals Structure–property–activity relationships in a pyridine containing azine-linked covalent organic framework for photocatalytic hydrogen evolution

2017 ◽  
Vol 201 ◽  
pp. 247-264 ◽  
Author(s):  
Frederik Haase ◽  
Tanmay Banerjee ◽  
Gökcen Savasci ◽  
Christian Ochsenfeld ◽  
Bettina V. Lotsch
Keyword(s):  
Hydrogen Evolution ◽  
Rational Design ◽  
Molecular Level ◽  
Optoelectronic Properties ◽  
Atomic Scale ◽  
Structure Property ◽  
Photocatalytic Hydrogen Evolution ◽  
Previous Design ◽  
Nitrogen Substitution ◽  
New Generation

Organic solids such as covalent organic frameworks (COFs), porous polymers and carbon nitrides have garnered attention as a new generation of photocatalysts that offer tunability of their optoelectronic properties both at the molecular level and at the nanoscale. Owing to their inherent porosity and well-ordered nanoscale architectures, COFs are an especially attractive platform for the rational design of new photocatalysts for light-induced hydrogen evolution. In this report, our previous design strategy of altering the nitrogen content in an azine-linked COF platform to tune photocatalytic hydrogen evolution is extended to a pyridine-based photocatalytically active framework, where nitrogen substitution in the peripheral aryl rings reverses the polarity compared to the previously studied materials. We demonstrate how simple changes at the molecular level translate into significant differences in atomic-scale structure, nanoscale morphology and optoelectronic properties, which greatly affect the photocatalytic hydrogen evolution efficiency. In an effort to understand the complex interplay of such factors, we carve out the conformational flexibility of the PTP-COF precursor and the vertical radical anion stabilization energy as important descriptors to understand the performance of the COF photocatalysts.

Effect of Monofluoro Substitution on the Optoelectronic Properties of Benzo[c][1,2,5]thiadiazole Based Organic Semiconductors

2016 ◽  
Vol 49 (16) ◽  
pp. 5806-5816 ◽  
Author(s):  
Wenkai Zhong ◽  
Junfei Liang ◽  
Shuzhi Hu ◽  
Xiao-Fang Jiang ◽  
Lei Ying ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Optoelectronic Properties

Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives

2014 ◽  
Vol 2 (29) ◽  
pp. 5954-5962 ◽  
Author(s):  
Jin-Xing Qiu ◽  
Ye-Xin Li ◽  
Xiao-Feng Yang ◽  
Yong Nie ◽  
Zhen-Wei Zhang ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Crystal Packing ◽  
Molecular Shape ◽  
Optoelectronic Properties ◽  
Substitution Degree

The molecular shape exerts remarkable effects on solubility, polymorphism, crystal packing and optoelectronic properties – searching for 3D organic semiconductors.

scholarly journals Molecular insights of exceptionally photostable electron acceptors for organic photovoltaics

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Zhi-Xi Liu ◽  
Zhi-Peng Yu ◽  
Ziqiu Shen ◽  
Chengliang He ◽  
Tsz-Ki Lau ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Semiconductors ◽  
Photochemical Reaction ◽  
Molecular Level ◽  
Aerobic Condition ◽  
Electron Acceptors ◽  
Structure Property ◽  
Photo Degradation ◽  
Efficient Performance ◽  
Donor Acceptor

AbstractPhoto-degradation of organic semiconductors remains as an obstacle preventing their durable practice in optoelectronics. Herein, we disclose that volume-conserving photoisomerization of a unique series of acceptor-donor-acceptor (A-D-A) non-fullerene acceptors (NFAs) acts as a surrogate towards their subsequent photochemical reaction. Among A-D-A NFAs with fused, semi-fused and non-fused backbones, fully non-fused PTIC, representing one of rare existing samples, exhibits not only excellent photochemical tolerance in aerobic condition, but also efficient performance in solar cells. Along with a series of in-depth investigations, we identify that the structural confinement to inhibit photoisomerization of these unique A-D-A NFAs from molecular level to macroscopic condensed solid helps enhancing the photochemical stabilities of molecules, as well as the corresponding OSCs. Although other reasons associating with the photostabilities of molecules and devices should not excluded, we believe this work provides helpful structure-property information toward new design of stable and efficient photovoltaic molecules and solar cells.

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