Theoretical design of three-dimensional non-fullerene acceptor materials based on an arylenediimide unit towards high efficiency organic solar cells

2017 ◽  
Vol 41 (10) ◽  
pp. 3857-3864 ◽  
Author(s):  
Qing-Qing Pan ◽  
Shuang-Bao Li ◽  
Yong Wu ◽  
Ji Zhang ◽  
Hai-Bin Li ◽  
...  

DFT and TDDFT calculations were performed to search for high-performance non-fullerene organic acceptor materials in organic solar cells.

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Juanyong Wan ◽  
Yonggao Xia ◽  
Junfeng Fang ◽  
Zhiguo Zhang ◽  
Bingang Xu ◽  
...  

AbstractNonfullerene organic solar cells (OSCs) have achieved breakthrough with pushing the efficiency exceeding 17%. While this shed light on OSC commercialization, high-performance flexible OSCs should be pursued through solution manufacturing. Herein, we report a solution-processed flexible OSC based on a transparent conducting PEDOT:PSS anode doped with trifluoromethanesulfonic acid (CF3SO3H). Through a low-concentration and low-temperature CF3SO3H doping, the conducting polymer anodes exhibited a main sheet resistance of 35 Ω sq−1 (minimum value: 32 Ω sq−1), a raised work function (≈ 5.0 eV), a superior wettability, and a high electrical stability. The high work function minimized the energy level mismatch among the anodes, hole-transporting layers and electron-donors of the active layers, thereby leading to an enhanced carrier extraction. The solution-processed flexible OSCs yielded a record-high efficiency of 16.41% (maximum value: 16.61%). Besides, the flexible OSCs afforded the 1000 cyclic bending tests at the radius of 1.5 mm and the long-time thermal treatments at 85 °C, demonstrating a high flexibility and a good thermal stability.


2021 ◽  
Vol 01 ◽  
Author(s):  
Min Deng ◽  
Zhenkai Ji ◽  
Xiaopeng Xu ◽  
Liyang Yu ◽  
Qiang Peng

Background: Perylene diimide (PDI) is among the most investigated non-fullerene electron acceptor for organic solar cells (OSCs). Constructing PDI derivatives into three-dimensional propeller-like molecular structures is not only one of the viable routes to suppress the over aggregation tendency of the PDI chromophores, but also raises possibilities to tune and optimize the optoelectronic property of the molecules. Objective: In this work, we reported the design, synthesis, and characterization of three electron-accepting materials, namely BOZ-PDI, BTZ-PDI, and BIZ-PDI, each with three PDI arms linked to benzotrioxazole, benzotrithiazole, and benzotriimidazole based center cores, respectively. Method: The introduction of electron-withdrawing center cores with heteroatoms does not significantly complicate the synthesis of the acceptor molecules but drastically influences the energy levels of the propeller-like PDI derivatives. Result: The highest power conversion efficiency was obtained with benzoxazole-based BOZ-PDI reaching 7.70% for its higher photon absorption and charge transport ability. Conclusion: This work explores the utilization of electron-withdrawing cores with heteroatoms in the propeller-like PDI derivatives, which provides a handy tool to construct high-performance non-fullerene acceptor materials.


2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Jingnan Wu ◽  
Guangwei Li ◽  
Jin Fang ◽  
Xia Guo ◽  
Lei Zhu ◽  
...  

Abstract Developing a high-performance donor polymer is critical for achieving efficient non-fullerene organic solar cells (OSCs). Currently, most high-efficiency OSCs are based on a donor polymer named PM6, unfortunately, whose performance is highly sensitive to its molecular weight and thus has significant batch-to-batch variations. Here we report a donor polymer (named PM1) based on a random ternary polymerization strategy that enables highly efficient non-fullerene OSCs with efficiencies reaching 17.6%. Importantly, the PM1 polymer exhibits excellent batch-to-batch reproducibility. By including 20% of a weak electron-withdrawing thiophene-thiazolothiazole (TTz) into the PM6 polymer backbone, the resulting polymer (PM1) can maintain the positive effects (such as downshifted energy level and reduced miscibility) while minimize the negative ones (including reduced temperature-dependent aggregation property). With higher performance and greater synthesis reproducibility, the PM1 polymer has the promise to become the work-horse material for the non-fullerene OSC community.


2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Ruimin Zhou ◽  
Zhaoyan Jiang ◽  
Chen Yang ◽  
Jianwei Yu ◽  
Jirui Feng ◽  
...  

AbstractThe high efficiency all-small-molecule organic solar cells (OSCs) normally require optimized morphology in their bulk heterojunction active layers. Herein, a small-molecule donor is designed and synthesized, and single-crystal structural analyses reveal its explicit molecular planarity and compact intermolecular packing. A promising narrow bandgap small-molecule with absorption edge of more than 930 nm along with our home-designed small molecule is selected as electron acceptors. To the best of our knowledge, the binary all-small-molecule OSCs achieve the highest efficiency of 14.34% by optimizing their hierarchical morphologies, in which the donor or acceptor rich domains with size up to ca. 70 nm, and the donor crystals of tens of nanometers, together with the donor-acceptor blending, are proved coexisting in the hierarchical large domain. All-small-molecule photovoltaic system shows its promising for high performance OSCs, and our study is likely to lead to insights in relations between bulk heterojunction structure and photovoltaic performance.


Nanomaterials ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 2807
Author(s):  
Yangan Zhang ◽  
Yao Li ◽  
Xueguang Yuan ◽  
Xin Yan ◽  
Xia Zhang

A laterally oriented GaAs p-i-n nanowire solar cell with Ag gratings is proposed and studied via coupled three-dimensional optoelectronic simulations. The results show that the gratings significantly enhance the absorption of nanowire for both TM and TE polarized light due to the combined effect of grating diffraction, excitation of plasmon polaritons, and suppression of carrier recombination. At an optimal grating period, the absorption at 650–800 nm, which is an absorption trough for pure nanowire, is substantially enhanced, raising the conversion efficiency from 8.7% to 14.7%. Moreover, the gratings enhance the weak absorption at long wavelengths and extend the absorption cutoff wavelength for ultrathin nanowires, yielding a remarkable efficiency of 13.3% for the NW with a small diameter of 90 nm, 2.6 times that without gratings. This work may pave the way toward the development of ultrathin high-efficiency nanoscale solar cells.


2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Md. Shahiduzzaman ◽  
Mohammad Ismail Hossain ◽  
Sem Visal ◽  
Tetsuya Kaneko ◽  
Wayesh Qarony ◽  
...  

AbstractThe photovoltaic performance of perovskite solar cells (PSCs) can be improved by utilizing efficient front contact. However, it has always been a significant challenge for fabricating high-quality, scalable, controllable, and cost-effective front contact. This study proposes a realistic multi-layer front contact design to realize efficient single-junction PSCs and perovskite/perovskite tandem solar cells (TSCs). As a critical part of the front contact, we prepared a highly compact titanium oxide (TiO2) film by industrially viable Spray Pyrolysis Deposition (SPD), which acts as a potential electron transport layer (ETL) for the fabrication of PSCs. Optimization and reproducibility of the TiO2 ETL were discreetly investigated while fabricating a set of planar PSCs. As the front contact has a significant influence on the optoelectronic properties of PSCs, hence, we investigated the optics and electrical effects of PSCs by three-dimensional (3D) finite-difference time-domain (FDTD) and finite element method (FEM) rigorous simulations. The investigation allows us to compare experimental results with the outcome from simulations. Furthermore, an optimized single-junction PSC is designed to enhance the energy conversion efficiency (ECE) by > 30% compared to the planar reference PSC. Finally, the study has been progressed to the realization of all-perovskite TSC that can reach the ECE, exceeding 30%. Detailed guidance for the completion of high-performance PSCs is provided.


2016 ◽  
Vol 4 (48) ◽  
pp. 18931-18941 ◽  
Author(s):  
Daobin Yang ◽  
Hisahiro Sasabe ◽  
Yan Jiao ◽  
Taojun Zhuang ◽  
Yan Huang ◽  
...  

A π-extension strategy is an effective way for squaraines for achieving high-performance photovoltaic materials capable of showing much enhanced hole mobility.


2019 ◽  
Vol 31 (17) ◽  
pp. 1807577 ◽  
Author(s):  
Jun Yuan ◽  
Yunqiang Zhang ◽  
Liuyang Zhou ◽  
Chujun Zhang ◽  
Tsz‐Ki Lau ◽  
...  

2020 ◽  
Vol 8 (24) ◽  
pp. 12141-12148 ◽  
Author(s):  
Shao-Ling Chang ◽  
Fong-Yi Cao ◽  
Kuo-Hsiu Huang ◽  
Wei-Liang Lee ◽  
Meng-Hsun Lee ◽  
...  

Development of 2-dimensional cross-shaped ladder-type TC is promising for achieving high-performance n-type materials and the device using PBDB-T:TC-FIC:PC71BM ternary blend achieves a high efficiency of 13.5%.


2019 ◽  
Vol 7 (30) ◽  
pp. 17947-17953 ◽  
Author(s):  
Fong-Yi Cao ◽  
Po-Kai Huang ◽  
Yen-Chen Su ◽  
Wen-Chia Huang ◽  
Shao-Ling Chang ◽  
...  

This work clearly demonstrates the importance of chemical planarization in designing high-performance nonfullerene acceptors and the ternary-blend device using PBDB-T:DTFT9-FIC:PC71BM achieved a high PCE of 11.82%.


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