scholarly journals Benzobisthiadiazole-based high-spin donor–acceptor conjugated polymers with localized spin distribution

2021 ◽  
Author(s):  
Md Abdus Sabuj ◽  
Md Masrul Huda ◽  
Chandra Shekar Sarap ◽  
Neeraj Rai

This work indicates that carefully selected acceptor units can lead to a localized spin topology and a high-spin (S = 1) ground-state with a pure diradical (y0 = 1) character suitable for organic magnetic materials.

1989 ◽  
Vol 173 ◽  
Author(s):  
David A. Modarelli ◽  
Frank C. Rossitto ◽  
Masaki Minato ◽  
Paul M Lahti

ABSTRACTA variety of model organic high spin molecules based upon coupled phenoxy and phenylnitrene systems has been examined by semiempirical MO-CI theory. Experimental methodology using photochemical and thermal methods in solution and solid phases to generate and study phenoxy groups for investigation of these models is presented.


2021 ◽  
pp. 100467
Author(s):  
Kevin S. Mayer ◽  
Daniel J. Adams ◽  
Naresh Eedugurala ◽  
Molly M. Lockart ◽  
Paramasivam Mahalingavelar ◽  
...  

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.


Polymers ◽  
2021 ◽  
Vol 13 (3) ◽  
pp. 393
Author(s):  
Ja Eun Lee ◽  
Yoon Kim ◽  
Yang Ho Na ◽  
Nam Seob Baek ◽  
Jae Woong Jung ◽  
...  

We synthesized medium-band-gap donor-acceptor (D-A) -type conjugated polymers (PBTZCZ-L and PBTZCZ-H) consisting of a benzotriazole building block as an acceptor and a carbazole unit as a donor. In comparison with the polymers, a small conjugated molecule (BTZCZ-2) was developed, and its structural, thermal, optical, and photovoltaic properties were investigated. The power conversion efficiency (PCE) of the BTZCZ-2-based solar cell devices was less than 0.5%, considerably lower than those of polymer-based devices with conventional device structures. However, inverted solar cell devices configured with glass/ITO/ZnO:PEIE/BTZCZ-2:PC71BM/MoO3/Ag showed a tremendously improved efficiency (PCE: 5.05%, Jsc: 9.95 mA/cm2, Voc: 0.89 V, and FF: 57.0%). We believe that this is attributed to high energy transfer and excellent film morphologies.


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