Heteroatom Oxidation Controls Singlet-Triplet Energy Splitting in Singlet Fission Buildings Blocks

2022 ◽  
Author(s):  
J. Terence Blaskovits ◽  
Maria Fumanal ◽  
Sergi Vela ◽  
Yuri Cho ◽  
Clemence Corminboeuf

Singlet fission (SF) is a promising multiexciton-generating process. Its demanding energy splitting criterion - that the S1 energy must be at least twice that of T1 - has limited the...

2017 ◽  
Vol 4 (4) ◽  
pp. 619-624 ◽  
Author(s):  
Gyeong Heon Kim ◽  
Raju Lampande ◽  
Joon Beom Im ◽  
Jung Min Lee ◽  
Ju Young Lee ◽  
...  

We demonstrate a promising molecular design approach to achieve short exciton lifetime, small singlet and triplet energy splitting and high photoluminescence quantum yield in thermally activated delayed fluorescence emitters for high quantum efficiency and low efficiency roll-off characteristics in OLEDs.


2020 ◽  
Vol 8 (30) ◽  
pp. 10416-10421
Author(s):  
Feng-Yan Hao ◽  
Yi-Zhong Shi ◽  
Kai Wang ◽  
Xiao-Chun Fan ◽  
Lin Wu ◽  
...  

By crooking conventional donor segments via suitable steric hindrance, nearly planar geometries, a small singlet–triplet energy splitting and a high fluorescence quantum yield can be realized simultaneously.


2021 ◽  
Author(s):  
Vibin Abraham ◽  
Nicholas Mayhall

Understanding the separation of the correlated triplet pair state 1(TT) intermediate is critical for leveraging singlet fission to improve solar cell efficiency. This separation mechanism is dominated by two key interactions: (i) the exchange interaction (K) between the triplets which leads to the spin splitting of the biexciton state into 1(TT),3(TT) and 5(TT) states, and (ii) the triplet-triplet energy transfer integral (t) which enables the formation of the spatially separated (but still spin entangled) state 1(T...T). We develop a simple ab initio technique to compute both the biexciton exchange (K) and biexciton transfer coupling. Our key findings reveal new conditions for successful correlated triplet pair state dissociation. The biexciton exchange interaction needs to be ferromagnetic or negligible to the triplet energy transfer for favourable dissociation. We also explore the effect of chromophore packing to reveal geometries where these conditions are achieved for tetracene.


2019 ◽  
Author(s):  
Victor Gray ◽  
Jesse Allardice ◽  
Simon Dowland ◽  
Zhilong Zhang ◽  
James Xiao ◽  
...  

Author(s):  
XinYe Wang ◽  
YiFan Zhang ◽  
Ze Yu ◽  
Yuan Wu ◽  
Dongdong Wang ◽  
...  

TADF-sensitizing-fluorescence (TSF) strategy suffered a disturbing energy loss causing by the T1 states of fluorescence dopant (FD) due to its low T1-state energy and forbidden of radiative transition. We supposed...


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