New donor-acceptor-donor type of organic semiconductors based on the regioisomers of diketopyrrolopyrroles: A DFT study

2020 ◽  
Vol 25 ◽  
pp. 101364 ◽  
Author(s):  
Gautomi Gogoi ◽  
Labanya Bhattacharya ◽  
Shohidur Rahman ◽  
Neelotpal Sen Sarma ◽  
Sridhar Sahu ◽  
...  
2019 ◽  
Author(s):  
Alexander Giovannitti ◽  
Reem B. Rashid ◽  
Quentin Thiburce ◽  
Bryan D. Paulsen ◽  
Camila Cendra ◽  
...  

<p>Avoiding faradaic side reactions during the operation of electrochemical devices is important to enhance the device stability, to achieve low power consumption, and to prevent the formation of reactive side‑products. This is particularly important for bioelectronic devices which are designed to operate in biological systems. While redox‑active materials based on conducting and semiconducting polymers represent an exciting class of materials for bioelectronic devices, they are susceptible to electrochemical side‑reactions with molecular oxygen during device operation. We show that this electrochemical side reaction yields hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>), a reactive side‑product, which may be harmful to the local biological environment and may also accelerate device degradation. We report a design strategy for the development of redox-active organic semiconductors based on donor-acceptor copolymers that prevent the formation of H<sub>2</sub>O<sub>2</sub> during device operation. This study elucidates the previously overlooked side-reactions between redox-active conjugated polymers and molecular oxygen in electrochemical devices for bioelectronics, which is critical for the operation of electrolyte‑gated devices in application-relevant environments.</p>


Author(s):  
Suryakanti Debata ◽  
Smruti R. Sahoo ◽  
Rudranarayan Khatua ◽  
Sridhar Sahu

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.


2021 ◽  
Vol 1198 ◽  
pp. 113176
Author(s):  
Sadaf Bibi ◽  
Rasheed Ahmad Khera ◽  
Afifa Farhat ◽  
Javed Iqbal

Author(s):  
Jenna L Sartucci ◽  
Arindam Maity ◽  
Manikandan Mohanan ◽  
Jeffery A. Bertke ◽  
Miklos Kertesz ◽  
...  

Understanding the doping mechanism in organic semiconductors and generating molecular design rules to control the doping process is crucial to improve the performance of organic electronics. Even though controlling the...


Materials ◽  
2020 ◽  
Vol 13 (7) ◽  
pp. 1727 ◽  
Author(s):  
Ji-Hyun Lee ◽  
Armand Perrot ◽  
Masahiro Hiramoto ◽  
Seiichiro Izawa

Clarifying critical differences in free charge generation and recombination processes between inorganic and organic semiconductors is important for developing efficient organic photoconversion devices such as solar cells (SCs) and photodetector. In this study, we analyzed the dependence of doping concentration on the photoconversion process at the organic pn-homojunction interface in a single organic semiconductor using the temperature dependence of J–V characteristics and energy structure measurements. Even though the organic pn-homojunction SC devices were fabricated using a single host material and the doping technique resembling an inorganic pn-homojunction, the charge generation and recombination mechanisms are similar to that of conventional donor/acceptor (D/A) type organic SCs; that is, the charge separation happens from localized exciton and charge transfer (CT) state being separated by the energy offset between adjacent molecules, and the recombination happens from localized charge carrier at two adjacent molecules. The determining factor for photoconversion processes is the localized nature of charges in organic semiconductors. The results demonstrated that controlling the delocalization of the charges is important to realize efficient organic photoconversion devices.


Tetrahedron ◽  
2012 ◽  
Vol 68 (39) ◽  
pp. 8216-8221 ◽  
Author(s):  
Wei-Jie Li ◽  
Hai-Mei Wu ◽  
Yi-Bao Li ◽  
Chao-Peng Hu ◽  
Ming-Dong Yi ◽  
...  

2014 ◽  
Vol 2 (17) ◽  
pp. 3467-3475 ◽  
Author(s):  
Natalie Gorczak ◽  
Marcel Swart ◽  
Ferdinand C. Grozema

We calculated the energy landscape of charged molecules that is determined by electrostatic and induction interaction using the fully polarizable force field DRF90 in the bulk and at interfaces of the electron accepting material C60, and two exemplary electron donating materials pentacene and phthalocyanine.


Nanomaterials ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 1179 ◽  
Author(s):  
Przemyslaw Ledwon ◽  
Gabriela Wiosna-Salyga ◽  
Marian Chapran ◽  
Radoslaw Motyka

A series of novel donor–acceptor D–π–A–π–D compounds were synthesized and characterized in order to determine the influence of different acceptor units on their properties. The introduction of acceptor moieties had a direct impact on the HOMO and LUMO energy levels. Fluorescence spectra of compounds can be changed by the choice of an appropriate acceptor and were shifted from the green to the near-infrared part of spectra. Due to observed concentration induced emission quenching, the green exciplex type host was used to evaluate the potential of synthesized molecules as emitters in organic light emitting diodes (OLEDs).


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