scholarly journals Bent-Shaped p-Type Small-Molecule Organic Semiconductors: A Molecular Design Strategy for Next-Generation Practical Applications

2020 ◽  
Vol 142 (20) ◽  
pp. 9083-9096 ◽  
Author(s):  
Toshihiro Okamoto ◽  
Craig P. Yu ◽  
Chikahiko Mitsui ◽  
Masakazu Yamagishi ◽  
Hiroyuki Ishii ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Small Molecule ◽  
Molecular Design ◽  
Design Strategy ◽  
Next Generation ◽  
Practical Applications ◽  
P Type

Rational design and crystal structure prediction of ring-fused double-PDI compounds as n-channel organic semiconductors: a DFT study

2021 ◽  
Author(s):  
Suryakanti Debata ◽  
Smruti R. Sahoo ◽  
Rudranarayan Khatua ◽  
Sridhar Sahu
Keyword(s):  
Crystal Structure ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
Structure Prediction ◽  
Rational Design ◽  
Molecular Design ◽  
Design Strategy ◽  
Dft Study ◽  
Crystal Structure Prediction ◽  
Model Compounds

In this study, we present an effective molecular design strategy to develop the n-type charge transport characteristics in organic semiconductors, using ring-fused double perylene diimides (DPDIs) as the model compounds.

Insight into in-plane isotropic transport in anthracene-based organic semiconductors

2019 ◽  
Vol 7 (45) ◽  
pp. 14275-14283 ◽  
Author(s):  
Xingwei Zeng ◽  
Dongwei Zhang ◽  
Yanan Zhu ◽  
Mo Chen ◽  
Haibiao Chen ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Molecular Design ◽  
Design Strategy ◽  
Insight Into

A molecular design strategy for developing anthracene-based organic semiconductors with in-plane isotropic mobility.

α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors

2015 ◽  
Vol 27 (18) ◽  
pp. 6418-6425 ◽  
Author(s):  
Masahiro Nakano ◽  
Itaru Osaka ◽  
Daisuke Hashizume ◽  
Kazuo Takimiya
Keyword(s):  
Organic Semiconductors ◽  
Molecular Design ◽  
Design Strategy

scholarly journals Organic Semiconductors: Zigzag-Elongated Fused π-Electronic Core: A Molecular Design Strategy to Maximize Charge-Carrier Mobility (Adv. Sci. 1/2018)

2018 ◽  
Vol 5 (1) ◽  
pp. 1870005
Author(s):  
Akito Yamamoto ◽  
Yoshinori Murata ◽  
Chikahiko Mitsui ◽  
Hiroyuki Ishii ◽  
Masakazu Yamagishi ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Organic Semiconductors ◽  
Carrier Mobility ◽  
Molecular Design ◽  
Charge Carrier Mobility ◽  
Design Strategy

The Effect of Donor Molecular Structure on Power Conversion Efficiency of Small-Molecule-Based Organic Solar Cells

2019 ◽  
Vol 16 (3) ◽  
pp. 236-243 ◽  
Author(s):  
Hui Zhang ◽  
Yibing Ma ◽  
Youyi Sun ◽  
Jialei Liu ◽  
Yaqing Liu ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solar Cells ◽  
Power Conversion Efficiency ◽  
Conversion Efficiency ◽  
Small Molecule ◽  
Organic Solar Cells ◽  
Molecular Design ◽  
Power Conversion ◽  
The Relationship

In this review, small-molecule donors for application in organic solar cells reported in the last three years are highlighted. Especially, the effect of donor molecular structure on power conversion efficiency of organic solar cells is reported in detail. Furthermore, the mechanism is proposed and discussed for explaining the relationship between structure and power conversion efficiency. These results and discussions draw some rules for rational donor molecular design, which is very important for further improving the power conversion efficiency of organic solar cells based on the small-molecule donor.

scholarly journals Molecular design strategy to alleviate environmental interference on two-photon fluorescence probes

2021 ◽  
Vol 2 (6) ◽  
pp. 100471
Author(s):  
Xingxing Zhang ◽  
Tianbing Ren ◽  
Qianling Zhang ◽  
Ting Zeng ◽  
Zhe Li ◽  
...  
Keyword(s):  
Molecular Design ◽  
Design Strategy ◽  
Fluorescence Probes ◽  
Two Photon ◽  
Two Photon Fluorescence ◽  
Photon Fluorescence ◽  
Environmental Interference

scholarly journals Enabling rapid COVID-19 small molecule drug design through scalable deep learning of generative models

2021 ◽  
pp. 109434202110109
Author(s):  
Sam Ade Jacobs ◽  
Tim Moon ◽  
Kevin McLoughlin ◽  
Derek Jones ◽  
David Hysom ◽  
...  
Keyword(s):  
Small Molecule ◽  
Molecular Design ◽  
Turnaround Time ◽  
Generative Models ◽  
Quality Model ◽  
Training Time ◽  
Small Molecule Drug ◽  
Training Approach ◽  
Previous State ◽  
Multi Level

We improved the quality and reduced the time to produce machine learned models for use in small molecule antiviral design. Our globally asynchronous multi-level parallel training approach strong scales to all of Sierra with up to 97.7% efficiency. We trained a novel, character-based Wasserstein autoencoder that produces a higher quality model trained on 1.613 billion compounds in 23 minutes while the previous state of the art takes a day on 1 million compounds. Reducing training time from a day to minutes shifts the model creation bottleneck from computer job turnaround time to human innovation time. Our implementation achieves 318 PFLOPs for 17.1% of half-precision peak. We will incorporate this model into our molecular design loop enabling the generation of more diverse compounds; searching for novel, candidate antiviral drugs improves and reduces the time to synthesize compounds to be tested in the lab.

scholarly journals Molecular Design of Thermally Activated Delayed Fluorescent Emitters for Narrowband Orange−Red OLEDs: Boosted by a Cyano-Functionalization Strategy

2021 ◽  
Author(s):  
Yang Liu ◽  
Xin Xiao ◽  
Ran You ◽  
Zhengyang Bin ◽  
Jingsong You
Keyword(s):  
Molecular Design ◽  
Design Strategy ◽  
Color Purity ◽  
Thermally Activated ◽  
Red Oleds

The establishment of simple molecular design strategy to realize red-shifted emission while maintaining good color purity for multi-resonance induced thermally activated delayed fluorescent (MR-TADF) materials remains an appealing yet challenging...

A Review on Solution-Processed Perovskite/Organic Hybrid Photodetectors

2021 ◽  
Author(s):  
Yadong Wang ◽  
Yingliang Liu ◽  
Shaokui Cao ◽  
Jizheng Wang
Keyword(s):  
Organic Semiconductors ◽  
Next Generation ◽  
Solution Processed ◽  
Organic Hybrid

Both perovskites and organic semiconductors are promising candidates for next-generation portable and wearable photodetectors (PDs), owing to their facile solution processibility and remarkable optoelectronic features. In recent years, there are...

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