Role of Spontaneous Orientational Polarization in Organic Donor–Acceptor Blends for Exciton Binding

2020 ◽  
Vol 8 (21) ◽  
pp. 2000896
Author(s):  
Yuuhi Ueda ◽  
Hajime Nakanotani ◽  
Takuya Hosokai ◽  
Yuya Tanaka ◽  
Hokuto Hamada ◽  
...  
1999 ◽  
Vol 75 (9) ◽  
pp. 1243-1245 ◽  
Author(s):  
I. Kuskovsky ◽  
D. Li ◽  
G. F. Neumark ◽  
V. N. Bondarev ◽  
P. V. Pikhitsa

1996 ◽  
Vol 32 (1-4) ◽  
pp. 311-319 ◽  
Author(s):  
S.R.G. Carrazán ◽  
L. Cadus ◽  
Ph. Dieu ◽  
P. Ruiz ◽  
B. Delmon

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Jinseok Kim ◽  
Juwon Oh ◽  
Seongchul Park ◽  
Jose L. Zafra ◽  
Justin R. DeFrancisco ◽  
...  

Abstract The scientific significance of excited-state aromaticity concerns with the elucidation of processes and properties in the excited states. Here, we focus on TMTQ, an oligomer composed of a central 1,6-methano[10]annulene and 5-dicyanomethyl-thiophene peripheries (acceptor-donor-acceptor system), and investigate a two-electron transfer process dominantly stabilized by an aromatization in the low-energy lying excited state. Our spectroscopic measurements quantitatively observe the shift of two π-electrons between donor and acceptors. It is revealed that this two-electron transfer process accompanies the excited-state aromatization, producing a Baird aromatic 8π core annulene in TMTQ. Biradical character on each terminal dicyanomethylene group of TMTQ allows a pseudo triplet-like configuration on the 8π core annulene with multiexcitonic nature, which stabilizes the energetically unfavorable two-charge separated state by the formation of Baird aromatic core annulene. This finding provides a comprehensive understanding of the role of excited-state aromaticity and insight to designing functional photoactive materials.


2018 ◽  
Vol 5 (10) ◽  
pp. 1702-1712 ◽  
Author(s):  
Peng-Cheng Tu ◽  
Lin Zhou ◽  
Alexander M. Kirillov ◽  
Ran Fang ◽  
Lizi Yang

The mechanism and role of GaCl3 and aldehydes for the GaCl3-mediated reaction of donor–acceptor (D–A) cyclopropanes are clarified through our calculations.


2015 ◽  
Vol 119 (45) ◽  
pp. 25591-25597 ◽  
Author(s):  
Eric Hontz ◽  
Wendi Chang ◽  
Daniel N. Congreve ◽  
Vladimir Bulović ◽  
Marc A. Baldo ◽  
...  

2020 ◽  
Vol 8 (41) ◽  
pp. 21852-21861
Author(s):  
Xue Yong ◽  
Gang Wu ◽  
Wen Shi ◽  
Zicong Marvin Wong ◽  
Tianqi Deng ◽  
...  

First-principles calculations of a series of representing D–A copolymers demonstrated the strong Super-Exchange couplings induce not only small hole effective mass but also weak electron-phonon couplings, and eventually high thermoelectric power factor.


2017 ◽  
Vol 8 (10) ◽  
pp. 2175-2181 ◽  
Author(s):  
Jiajun Ren ◽  
Qian Peng ◽  
Xu Zhang ◽  
Yuanping Yi ◽  
Zhigang Shuai

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