Benzotriazacycle Cored Perylene Diimide Non-fullerene Acceptors for High-performance Organic Solar Cells

2021 ◽  
Vol 01 ◽  
Author(s):  
Min Deng ◽  
Zhenkai Ji ◽  
Xiaopeng Xu ◽  
Liyang Yu ◽  
Qiang Peng
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
High Performance ◽  
Energy Levels ◽  
Three Dimensional ◽  
Molecular Structures ◽  
Perylene Diimide ◽  
Photon Absorption ◽  
Optoelectronic Property ◽  
Design Synthesis

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.

scholarly journals Emphasizing the Operational Role of a Novel Graphene-Based Ink into High Performance Ternary Organic Solar Cells

2019 ◽  
Author(s):  
Minas M. Stylianakis ◽  
Dimitriοs M. Kosmidis ◽  
Katerina Anagnostou ◽  
Christos Polyzoidis ◽  
Miron Krassas ◽  
...  
Keyword(s):  
Solar Cells ◽  
Molecular Orbital ◽  
Organic Solar Cells ◽  
High Performance ◽  
Energy Levels ◽  
Fullerene Derivative ◽  
Highest Occupied Molecular Orbital ◽  
Lowest Unoccupied Molecular Orbital ◽  
Synthetic Routes

A novel solution-processed graphene-based material was synthesized by treating graphene oxide (GO) with 2,5,7-trinitro-9-oxo-fluorenone-4-carboxylic acid (TNF-COOH) moieties, via simple synthetic routes. The yielded molecule N-[(carbamoyl-GO)ethyl]-N’-[(carbamoyl)-(2,5,7-trinitro-9-oxo-fluorene)] (GO-TNF) was thoroughly characterized and it was shown that it presents favorable highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels to function as a bridge component between the polymeric donor poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl] thieno[3,4-b]thiophenediyl}) (PTB7) and the fullerene derivative acceptor [6,6]-phenyl-C71-butyric-acid-methylester (PC71BM). In this context, a GO-TNF based ink was prepared and directly incorporated within the binary photoactive layer, in different volume ratios (1-3% ratio to the blend), for the effective realization of inverted ternary organic solar cells (OSCs) of the structure ITO/PFN/PTB7:GO-TNF:PC71BM/MoO3/Al. The addition of 2% v/v GO-TNF ink led to a champion power conversion efficiency (PCE) of 8.71% that was enhanced by ~13% as compared to the reference cell.

scholarly journals Symmetry Induced Orderly Assembly Achieving High-Performance Perylene Diimide-based Non-Fullerene Organic Solar Cells

CCS Chemistry ◽  
2020 ◽  
pp. 1-18
Author(s):  
Shangshang Chen ◽  
Dong Meng ◽  
Jiachen Huang ◽  
Ningning Liang ◽  
Yan Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
High Performance ◽  
Perylene Diimide

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 ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
High Performance ◽  
High Efficiency ◽  
Three Dimensional ◽  
Tddft Calculations ◽  
Theoretical Design ◽  
Organic Acceptor ◽  
Dft And Tddft Calculations

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

Non-fullerene small molecule acceptors with three-dimensional thiophene/selenophene-annulated perylene diimides for efficient organic solar cells

2020 ◽  
Vol 8 (20) ◽  
pp. 6749-6755 ◽  
Author(s):  
Jiawei Pan ◽  
Ling Wang ◽  
Wei Chen ◽  
Shenglong Sang ◽  
Hua Sun ◽  
...  
Keyword(s):  
Solar Cells ◽  
Small Molecule ◽  
Organic Solar Cells ◽  
Carrier Mobility ◽  
Energy Levels ◽  
Three Dimensional ◽  
Molecular Configuration ◽  
Perylene Diimides ◽  
High Carrier Mobility ◽  
High Carrier

Three-dimensional non-fullerene acceptors with a spiro core linked with S/Se fused perylene diimides possess appropriate energy levels, twisted molecular configuration and high carrier mobility, leading to a PCE of 6.95% for organic solar cells.

scholarly journals An Effective D-π-A Type Donor Material Based on 4-Fluorobenzoylacetonitrile Core Unit for Bulk Heterojunction Organic Solar Cells

2021 ◽  
Vol 11 (2) ◽  
pp. 646
Author(s):  
Shabaz Alam ◽  
M. Shaheer Akhtar ◽  
Abdullah ◽  
Eun-Bi Kim ◽  
Hyung-Shik Shin ◽  
...  
Keyword(s):  
Solar Cells ◽  
Molecular Orbital ◽  
Organic Solar Cells ◽  
High Performance ◽  
Bulk Heterojunction ◽  
Energy Levels ◽  
Photovoltaic Properties ◽  
Donor Material ◽  
Highest Occupied Molecular Orbital ◽  
Lowest Unoccupied Molecular Orbital

In order to develop new and effective donor materials, a planar donor-π-acceptor (D-π-A) type small organic molecule (SOM), 2-(4-fluorobenzoyl)-3-(5″-hexyl-[2,2′:5′,2″-terthiophen]-5-yl) acrylonitrile, named as H3T-4-FOP, was synthesized by the reaction of 4-fluorobenzoylacetonitrile (as acceptor unit) and hexyl terthiophene (as donor unit) derivatives. Promising optical, solubility, electronic and photovoltaic properties were observed for the H3T-4-FOP SOM. Significantly, the presence of 4-fluorobenzoylacetonitrile as an acceptor unit in H3T-4-FOP SOM tuned the optical band gap to ~2.01 eV and procured the reasonable energy levels as highest occupied molecular orbital (HOMO) of −5.27 eV and lowest unoccupied molecular orbital (LUMO) −3.26 eV. The synthesized H3T-4-FOP SOM was applied as a donor material to fabricate solution-processed bulk heterojunction organic solar cells (BHJ-OSCs) with an active layer of H3T-4-FOP: PC61BM (1:2, w/w) and was validated as having a good power conversion efficiency (PCE) of ~4.38%. Our studies clearly inspire for future designing of multifunctional groups containing the 4-fluorobenzoylacetonitrile based SOM for high performance BHJ-OSCs.

Pyran-annulated perylene diimide derivatives as non-fullerene acceptors for high performance organic solar cells

2018 ◽  
Vol 6 (41) ◽  
pp. 11111-11117 ◽  
Author(s):  
Gang Li ◽  
Yu Zhang ◽  
Tao Liu ◽  
Shuaihua Wang ◽  
Dandan Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
High Performance ◽  
Electron Acceptors ◽  
Perylene Diimide ◽  
Perylene Diimides ◽  
Perylene Diimide Derivatives

Through the coupling of acetylene substituted triphenylamine and pyran-annulated perylene diimides, two novel non-fullerene electron acceptors, coded as TPA-PDI2 and TPA-PDI3, were designed, synthesized and applied in BHJ organic solar cells.

Optimizing the energy levels and crystallinity of 2, 2’-bithiophene-3, 3’-dicarboximide-based polymer donors for high-performance non-fullerene organic solar cells

2021 ◽  
Author(s):  
Yi Tang ◽  
Lan Xie ◽  
Dingding Qiu ◽  
Chen Yang ◽  
Yanan Liu ◽  
...  
Keyword(s):  
Solar Cells ◽  
Active Layer ◽  
Organic Solar Cells ◽  
High Performance ◽  
Energy Levels ◽  
Device Performance

The energy levels and crystallinity of the polymer donor greatly affect the active layer morphology and device performance in non-fullerene organic solar cells (OSCs). In this work, a new series...

Solar Cells: A Star-Shaped Perylene Diimide Electron Acceptor for High-Performance Organic Solar Cells (Adv. Mater. 30/2014)

2014 ◽  
Vol 26 (30) ◽  
pp. 5224-5224 ◽  
Author(s):  
Yuze Lin ◽  
Yifan Wang ◽  
Jiayu Wang ◽  
Jianhui Hou ◽  
Yongfang Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Electron Acceptor ◽  
Organic Solar Cells ◽  
High Performance ◽  
Perylene Diimide

scholarly journals Isomerization of Perylene Diimide Based Acceptors Enabling High‐Performance Nonfullerene Organic Solar Cells with Excellent Fill Factor

2019 ◽  
Vol 6 (6) ◽  
pp. 1802065 ◽  
Author(s):  
Zhenghui Luo ◽  
Tao Liu ◽  
Zhanxiang Chen ◽  
Yiqun Xiao ◽  
Guangye Zhang ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
High Performance ◽  
Fill Factor ◽  
Perylene Diimide
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