Construction of a 9,9′-bifluorenylidene-based small molecule acceptor materials by screening conformation, steric configuration and repeating unit number: a theoretical design and characterization

2017 ◽  
Vol 5 (39) ◽  
pp. 10343-10352 ◽  
Author(s):  
Ming-Yue Sui ◽  
Yun Geng ◽  
Guang-Yan Sun ◽  
Jian-Ping Wang

The effects of molecular conformations, steric configurations and repeat units on the 99BF-based on photovoltaic properties were designed and compared at the molecular level. As a result, thep-conformational linear of the 4-unit molecule may be a high-performance 99′BF derivative.


2016 ◽  
Vol 4 (6) ◽  
pp. 2252-2262 ◽  
Author(s):  
Jin-Liang Wang ◽  
Fei Xiao ◽  
Jun Yan ◽  
Kai-Kai Liu ◽  
Zheng-Feng Chang ◽  
...  

Here we report the synthesis of a pair of D1–A-bridge–D2-bridge–A–D1 type small molecules, which have different π-conjugated bridges and investigated the effects on their photovoltaic properties.



RSC Advances ◽  
2015 ◽  
Vol 5 (37) ◽  
pp. 29401-29411 ◽  
Author(s):  
Shuang-Bao Li ◽  
Yu-Ai Duan ◽  
Yun Geng ◽  
Hong-Ze Gao ◽  
Yong-Qing Qiu ◽  
...  

The designed 2, 3, and 5 will be promising donor candidates for high-performance OPV device due to their fast intermolecular charge transfer and effective charge transport.



Author(s):  
W.W. Adams ◽  
S. J. Krause

Rigid-rod polymers such as PBO, poly(paraphenylene benzobisoxazole), Figure 1a, are now in commercial development for use as high-performance fibers and for reinforcement at the molecular level in molecular composites. Spinning of liquid crystalline polyphosphoric acid solutions of PBO, followed by washing, drying, and tension heat treatment produces fibers which have the following properties: density of 1.59 g/cm3; tensile strength of 820 kpsi; tensile modulus of 52 Mpsi; compressive strength of 50 kpsi; they are electrically insulating; they do not absorb moisture; and they are insensitive to radiation, including ultraviolet. Since the chain modulus of PBO is estimated to be 730 GPa, the high stiffness also affords the opportunity to reinforce a flexible coil polymer at the molecular level, in analogy to a chopped fiber reinforced composite. The objectives of the molecular composite concept are to eliminate the thermal expansion coefficient mismatch between the fiber and the matrix, as occurs in conventional composites, to eliminate the interface between the fiber and the matrix, and, hopefully, to obtain synergistic effects from the exceptional stiffness of the rigid-rod molecule. These expectations have been confirmed in the case of blending rigid-rod PBZT, poly(paraphenylene benzobisthiazole), Figure 1b, with stiff-chain ABPBI, poly 2,5(6) benzimidazole, Fig. 1c A film with 30% PBZT/70% ABPBI had tensile strength 190 kpsi and tensile modulus of 13 Mpsi when solution spun from a 3% methane sulfonic acid solution into a film. The modulus, as predicted by rule of mixtures, for a film with this composition and with planar isotropic orientation, should be 16 Mpsi. The experimental value is 80% of the theoretical value indicating that the concept of a molecular composite is valid.



2021 ◽  
Vol 13 (5) ◽  
pp. 6461-6469
Author(s):  
María Privado ◽  
Fernando G. Guijarro ◽  
Pilar de la Cruz ◽  
Rahul Singhal ◽  
Fernando Langa ◽  
...  




2021 ◽  
Author(s):  
Kun-Mu Lee ◽  
Jui-Yu Yang ◽  
Ping-Sheng Lai ◽  
Ke-Jyun Luo ◽  
Ting Yu Yang ◽  
...  

A new cyclopentadithiophene (CPDT)-based organic small molecule serves as an efficient dopant-free hole transporting material (HTM) for perovskite solar cells (PSCs). Upon incorporation of two carbazole groups, the resulting CPDT-based...









2002 ◽  
Vol 81 (19) ◽  
pp. 3528-3530 ◽  
Author(s):  
Qinglan Huang ◽  
Ji Cui ◽  
He Yan ◽  
Jonathan G. C. Veinot ◽  
Tobin J. Marks


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