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具有不对称苯并[1,2-b:3,4-b',6,5-b"]三噻吩(BTT)供体核及不同受体端基单元的非稠合非富勒烯受体用于有机太阳能电池

Non-fused Nonfullerene Acceptors with an Asymmetric Benzo[1,2-b:3,4-b', 6,5-b"]trithiophene (BTT) Donor Core and Different AcceptorTerminal Units for Organic Solar Cells.

作者信息

Khokhlov A R, Keshtov M L, Shikin D Ya, Godovsky D Y, Sergeev V N, Liu J, Kalinkin D P, Alekseev V G, S Shyam Shankar, Sharma Ganesh D

机构信息

A.N. Nesmeyanov Institute of Organoelement compounds of the Russian Academy of Sciences, Vavilova St., 28, 119991, Moscow, Russian Federation.

Changchun Institute of Applied Chemistry CAS, Ren Min Street, Changchun, 130022, P.R. China.

出版信息

Chemistry. 2024 Dec 18;30(71):e202403193. doi: 10.1002/chem.202403193. Epub 2024 Nov 9.

Abstract

Here in, we have designed two new unfused non-fullerene small molecules using asymmetric benzo[1,2-b:3.4-b', 6,5-b"]trithiophene (BTT) as the central donor core and different terminal units i. e., 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile (NFA-4) and 1,3-diethyl-2-thioxodi hydropyrimidine-4,6 (1H,5H)-dione (NFA-5) and examined their optical and electrochemical properties. Using a wide band-gap copolymer D18, organic solar cells (OSCs) based on bulk heterojunction of D18:NFA-4 and D18:NFA-5 showed overall power conversion efficiency (PCE) of about 17.07 % and 11.27 %, respectively. The increased PCE for the NFA-4-based OSC, compared to NFA-5 counterpart, is due higher value of short circuit current (J), open circuit voltage (V), and fill factor (FF). Following the addition of small amount of NFA-5 to the binary bulk heterojunction D18:NFA-4, the ternary organic solar cells attained a PCE of 18.05 %, surpassing that of the binary counterparts due to the higher values of which is higher than that for the binary counterparts and attributed to the increased values of J, FF, and V. The higher value of J is linked to the efficient use to excitons transferred from NFA-5 to NFA-4 with a greated dipole moment than NFA-5 and subsequently dissociated into a free charge carrier efficiently.

摘要

在此,我们设计了两种新型的未融合非富勒烯小分子,以不对称苯并[1,2-b:3.4-b',6,5-b"]三噻吩(BTT)作为中心给体核,并采用不同的末端单元,即2-(3-氧代-2,3-二氢-1H-茚-1-亚基)丙二腈(NFA-4)和1,3-二乙基-2-硫代二氢嘧啶-4,6(1H,5H)-二酮(NFA-5),并研究了它们的光学和电化学性质。使用宽带隙共聚物D18,基于D18:NFA-4和D18:NFA-5体相异质结的有机太阳能电池(OSC)的总功率转换效率(PCE)分别约为17.07%和11.27%。与基于NFA-5的OSC相比,基于NFA-4的OSC的PCE增加是由于短路电流(J)、开路电压(V)和填充因子(FF)的值更高。在向二元体相异质结D18:NFA-4中添加少量NFA-5后,三元有机太阳能电池的PCE达到18.05%,超过了二元对应物,这是因为其值高于二元对应物,这归因于J、FF和V值的增加。J的较高值与从NFA-5转移到NFA-4的激子的有效利用有关,NFA-4的偶极矩比NFA-5大,随后有效地解离为自由电荷载流子。

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