Efficient organic solar cells based on a new “Y-series” non-fullerene acceptor with an asymmetric electron-deficient-core

Cai, Fangfang; Zhu, Can; Yuan, Jun; Li, Zhe; Meng, Lei; Liu, Wei; Peng, Hongjian; Jiang, Lihui; Li, Yongfang; Zou, Yingping

doi:10.1039/c9cc10076h

Cited by 55 publications

(43 citation statements)

References 35 publications

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“…In the present article, the end-capped acceptor modifications of the Y21 ( 24 ) molecule have been done with different efficiency end-capped acceptors A1–A4 as shown in Scheme 1 . Y21 (reference molecule) consists of a six-membered asymmetric fused-ring core based on benzotriazole flanked with thiophene and the alkylated thieno[3,2- b ]thiophene unit (DA’D) and 2-(5,6-difluoro-3-oxo-2,3-dihydro-1 H -inden-1-ylidene)-malononitrile as the acceptor group.…”

Section: Resultsmentioning

confidence: 99%

“…A new asymmetric Y-series Y21 fullerene-free acceptor consisting of the 3-(dihydro-1 H -inden-1-ylidene)-malononitrile (fluorinated IC), 5,11,12-tris(2-ethylhexyl)-8-hexyl-11,12-dihydro-5H-thieno[2′,3′:4,5]pyrrolo-[3,2-g]-thieno[2′,3′:4,5]thieno[3,2- b ][1,2,3]triazolo[4,5- e ]-indole group with 2-(5,6-difluoro-3-oxo-2) was reported recently. 24 Y21 was proven to be very beneficial in terms of cost and also exhibited high efficiency compared to other Y-series NFAs. Now further research is based on designing new Y-series NFAs with high efficiencies.…”

Section: Introductionmentioning

confidence: 99%

“…In the current investigation, end-capped acceptor modifications of the Y21 (referred to as R in this article) 24 molecule have been made with A1–A4 end-capped acceptor moieties (as shown in Scheme 1 ). The thiophene-based electron-deficient core with effective end-capped groups ensures extended conjugation and high absorption in the near-IR region.…”

Section: Introductionmentioning

confidence: 99%

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In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells

et al. 2020

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This work was inspired by a previous report [Janjua, M. R. S. A. Inorg. Chem. 2012, 51, 11306–11314] in which the optoelectronic properties were improved with an acceptor bearing heteroaromatic rings. Herein, we have designed four novel Y-series non-fullerene acceptors (NFAs) by end-capped acceptor modifications of a recently synthesized 15% efficient Y21 molecule for better optoelectronic properties and their potential use in solar cell applications. Density functional theory (DFT) along with time-dependent density functional theory (TDDFT) at the B3LYP/6-31G(d,p) level of theory is used to calculate the band gap, exciton binding energy along with transition density matrix (TDM) analysis, reorganizational energy of electrons and holes, and absorption maxima and open-circuit voltage of investigated molecules. In addition, the PM6:YA1 complex is also studied to understand the charge shifting from the donor polymer PM6 to the NFA blend. Results of all parameters suggest that the DA’D electron-deficient core and effective end-capped acceptors in YA1–YA4 molecules form a perfect combination for effective tuning of optoelectronic properties by lowering frontier molecular orbital (FMO) energy levels, reorganization energy, and binding energy and increasing the absorption maximum and open-circuit voltage values in selected molecules ( YA1–YA4) . The combination of extended conjugation and excellent electron-withdrawing capability of the end-capped acceptor moiety in YA1 makes YA1 an excellent organic solar cell (OSC) candidate owing to promising photovoltaic properties including the lowest energy gap (1.924 eV), smallest electron mobility (λ e = 0.0073 eV) and hole mobility (λ h = 0.0083 eV), highest λ max values (783.36 nm (in gas) and 715.20 nm (in chloroform) with lowest transition energy values ( E x ) of 1.58 and 1.73 eV, respectively), and fine open-circuit voltage ( V oc = 1.17 V) with respect to HOMO PM6 –LUMO acceptor . Moreover, selected molecules are observed to have better photovoltaic properties than Y21 , thus paving the way for experimentalists to look for future developments of Y-series-based highly efficient solar cells.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells

et al. 2020

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“…[ 48 ] Similarly, the symmetry‐broken strategy was also applied to the prevalent Y‐series SMAs recently (unlike traditional A–D–A‐type SMAs, the central core of Y‐series SMAs usually has an electron‐deficient unit such as benzotriazole and benzothiadiazole). [ 55–58 ] As shown in Figure 1, for the asymmetric cores, thiophene and its derivatives are most commonly used outermost aromatic rings. Only a few works have reported selenophene, [ 59–61 ] even no work reported pyrrole, as the outermost aromatic rings to develop new asymmetric cores, even though selenophene and pyrrole have realized some advantages in achieving high current and PCE relative to that of thiophene.…”

Section: Introductionmentioning

confidence: 99%

A Pyrrole‐Fused Asymmetrical Electron Acceptor for Polymer Solar Cells with Approaching 16% Efficiency

Luo

Xiao

et al. 2020

Small Structures

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Selecting suitable aromatic rings to develop asymmetric small‐molecule acceptors (SMAs) is of great significance. Herein, two asymmetric SMAs, namely, BTN‐4F and BTSe‐4F, are successfully synthesized by incorporating pyrrole and selenophene unit into the cores, respectively. Compared with the selenophene‐fused counterpart BTSe‐4F, BTN‐4F displays slightly upshifted energy levels and red‐shifted absorption spectrum (about 40 nm in film) due to the strong electron‐donating ability of N atoms in pyrrole. When matching with PM6, the BTN‐4F‐based device gives a higher power conversion efficiency (PCE) (15.82%) due to the simultaneously enhanced open circuit voltage (VOC), short‐circuit current density (JSC), and fill factor (FF), compared with those of the BTSe‐4F‐based device. The higher VOC coincides with the shallower lowest unoccupied molecular orbital (LUMO) energy level of BTN‐4F; the enhanced JSC mainly results from the broadened and enhanced absorption; the increased FF can be ascribed to the weaker bimolecular recombination, more balance charge transport, and more favorable morphology. It should be mentioned that the BTN‐4F‐based device yields a lower energy loss than that of the BTSe‐4F‐based device. Overall, the work demonstrates that pyrrole‐fused SMAs shows great potential in realizing low Eloss while yielding high JSC and PCE, which paves a new way to develop high‐performance SMAs.

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“…Among various organic photovoltaic devices, the OSCs containing small molecules (fullerenes or nonfullerene fused ring electron acceptors) are more susceptible to the external stimuli from irradiation, atmosphere, or thermal stress, thus reducing their lifetime. [11][12][13][14] In contrast, all-polymer solar cells (all-PSCs), consisting of a conjugated polymer donor (P D ) and a conjugated polymer acceptor (P A ) as the light-absorption active layer, offer superior morphological and thermal stability. [15][16][17][18][19] Furthermore, all-PSCs exhibit improved mechanical flexibility and toughness upon bending and elongation compared with conventional polymer:fullerenebased OSCs.…”

Section: Introductionmentioning

confidence: 99%

A Terpolymer Acceptor Enabling All‐Polymer Solar Cells with a Broad Donor:Acceptor Composition Tolerance and Enhanced Stability

et al. 2020

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Achieving a broad donor:acceptor (D:A) composition tolerance in efficient organic solar cells (OSCs) is important for printing large‐area solar cell modules. Herein, all‐polymer solar cells (all‐PSCs) based on new terpolymer acceptors and a well‐known polymer donor PTB7‐Th are fabricated to explore the effect of D:A ratio on morphology and photovoltaic performances. The all‐PSCs show a promising power conversion efficiency (PCE) of 7.23% with an optimum D:A ratio of 1:2 and retain over 40% of its optimal PCE with ultrabroad D:A composition tolerance from 1:30 to 10:1. In addition, the all‐PSCs can maintain 90% of its original PCE after 400 h of storage despite such broad range of D:A ratio, which is much better than those of other types of OSCs and even better than the benchmark all‐polymer system with N2200 as the acceptor under the same condition. The results show the superiority of the all‐PSCs in terms of D:A ratio tolerance and performance stability, which should be conducive to practical applications of all‐PSCs.

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Efficient organic solar cells based on a new “Y-series” non-fullerene acceptor with an asymmetric electron-deficient-core

Abstract: Herein, a new “Y-series” non-fullerene acceptor, Y21, bearing an asymmetric electron-deficient-core (DA′D) and fluorinated dicyanomethylene derivatives as flanking groups, was designed and synthesized for organic solar cell applications.

Cited by 55 publications

References 35 publications

In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells

In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells

A Pyrrole‐Fused Asymmetrical Electron Acceptor for Polymer Solar Cells with Approaching 16% Efficiency

A Terpolymer Acceptor Enabling All‐Polymer Solar Cells with a Broad Donor:Acceptor Composition Tolerance and Enhanced Stability

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