Reducing the Exciton Binding Energy of Donor–Acceptor‐Based Conjugated Polymers to Promote Charge‐Induced Reactions

2019 ◽  
Vol 58 (30) ◽  
pp. 10236-10240 ◽  
Author(s):  
Zhi‐An Lan ◽  
Guigang Zhang ◽  
Xiong Chen ◽  
Yongfan Zhang ◽  
Kai A. I. Zhang ◽  
...  
2019 ◽  
Vol 131 (30) ◽  
pp. 10342-10346 ◽  
Author(s):  
Zhi‐An Lan ◽  
Guigang Zhang ◽  
Xiong Chen ◽  
Yongfan Zhang ◽  
Kai A. I. Zhang ◽  
...  

2020 ◽  
Vol 12 (8) ◽  
pp. 672-682 ◽  
Author(s):  
James V. Passarelli ◽  
Catherine M. Mauck ◽  
Samuel W. Winslow ◽  
Collin F. Perkinson ◽  
Jacob C. Bard ◽  
...  

1995 ◽  
Vol 413 ◽  
Author(s):  
David Yaron ◽  
Eric Moore ◽  
Benjamin Gherman

ABSTRACTThe use of semi-empirical quantum chemistry to calculate the exciton binding energy of conjugated polymers is discussed. Both the Pariser-Parr-Pople (PPP) model with Ohno parameterization and the models present in the MOPAC program overestimate the exciton binding energy relative to that observed in solid-state materials. Inclusion of Coulomb screening from adjacent chains may correct this overestimation. The solvation energy of a point charge in polyacetylene is calculated as 0.9eV, using Hartree-Fock theory to describe the polarization induced in the solvent chains. It is argued that including screening by modifying the electron-electron interaction energy of the PPP model introduces physically unreasonable side effects and is not consistent with the 0.9eV solvation energy of a point charge. Electron-hole screening models are then discussed along with the need to consider the relative time scales of the electron-hole motion and the dielectric response.


2000 ◽  
Vol 111-112 ◽  
pp. 527-530 ◽  
Author(s):  
L Rossi ◽  
S.F Alvarado ◽  
W Rieß ◽  
S Schrader ◽  
D.G Lidzey ◽  
...  

1996 ◽  
Vol 8 (5) ◽  
pp. 447-452 ◽  
Author(s):  
Jean-Luc Brédas ◽  
Jérôme Cornil ◽  
Alan J. Heeger

2021 ◽  
Author(s):  
Bowen Ding ◽  
Gunwoo Kim ◽  
Youngseok Kim ◽  
Flurin D. Eisner ◽  
Edgar Gutiérrez-Fernández ◽  
...  

Polymers ◽  
2021 ◽  
Vol 13 (15) ◽  
pp. 2486
Author(s):  
Dexun Xie ◽  
Jing Xiao ◽  
Quanwei Li ◽  
Tongchao Liu ◽  
Jinjia Xu ◽  
...  

Conjugated polymers with narrower bandgaps usually induce higher carrier mobility, which is vital for the improved thermoelectric performance of polymeric materials. Herein, two indacenodithiophene (IDT) based donor–acceptor (D-A) conjugated polymers (PIDT-BBT and PIDTT-BBT) were designed and synthesized, both of which exhibited low-bandgaps. PIDTT-BBT showed a more planar backbone and carrier mobility that was two orders of magnitude higher (2.74 × 10−2 cm2V−1s−1) than that of PIDT-BBT (4.52 × 10−4 cm2V−1s−1). Both exhibited excellent thermoelectric performance after doping with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane, where PIDTT-BBT exhibited a larger conductivity (0.181 S cm−1) and a higher power factor (1.861 μW m−1 K−2) due to its higher carrier mobility. The maximum power factor of PIDTT-BBT reached 4.04 μW m−1 K−2 at 382 K. It is believed that conjugated polymers with a low bandgap are promising in the field of organic thermoelectric materials.


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