Hydrogen bonds in PC61BM solids

Chen, Sheng; Li, Wenjie; Du, Ying-Ying; Chen, Guanghua; Chen, Zheng; Li, Haiyang; Li, Hong-Nian

doi:10.1063/1.4931791

Cited by 8 publications

(4 citation statements)

References 45 publications

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“…PC 61 BM solid is combined with van de Waals interaction and weak hydrogen bonds. 28 So the calculations for isolated molecule can satisfactorily explain the photoemission spectrum. 29 Intercalation of K enhances the solid state effects, but the solid state effects on the core levels should not be significant especially for the lower intercalation samples (e.g., K 3 PC 61 BM).…”

Section: ■ Results and Discussionmentioning

confidence: 86%

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Reaction of PC₆₁BM Film with Potassium

Chen

Bai

et al. 2017

J. Phys. Chem. C

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We have studied the reaction of PC61BM ([6,6]-phenyl-C61-butyric acid methyl ester) film with K atoms using photoemission spectroscopy measurements and density functional theory calculations. It is found that the molecular structure of PC61BM keeps intact until the intercalation stage of K3PC61BM. This is because that the C60 cage of the molecule attracts the three first intercalated K atoms (per molecule) through the electron transfer from the K 4s states to the LUMO and LUMO+1 orbitals. The fourth intercalated K atom then detaches the methyl group and bonds with the two O atoms of the molecule. Additional K atoms can still bond with the molecule until the LUMO+2 orbital is filled, and the highest stoichiometry of K-intercalated PC61BM is K7–8PC61BM. The results indicate that the electrode interface of PC61BM-based devices is far from understood.

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Section: ■ Results and Discussionmentioning

confidence: 86%

“…The solid state effects were neglected in the calculations. PC 61 BM solid is combined with van de Waals interaction and weak hydrogen bonds . So the calculations for isolated molecule can satisfactorily explain the photoemission spectrum .…”

Section: Resultsmentioning

confidence: 89%

Reaction of PC₆₁BM Film with Potassium

Chen

Bai

et al. 2017

J. Phys. Chem. C

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“…As shown in the FTIR spectra in Figure 2g, the C-O stretching of PCBM showed obvious blueshift from ≈1735 cm −1 of P-PCBM to ≈1738 cm −1 after mixing them, accompanied with a slightly redshift of N-C stretching in TMAPA, which indicates a strong interaction between them. [27] In addition, amine group may also form hydrogen bond between N-H in BMAPA amine and C-O group PCBM indicated by the redshift of N-H stretching mode from ≈3284 to 3282.7 cm −1 as shown in Figure 2h. [27] We speculate these strong interactions, which are illustrated in Figure 2i, should prevent the aggregation of PCBM molecules during drying.…”

Section: Etl Ink Design and Bladingmentioning

confidence: 97%

“…[27] In addition, amine group may also form hydrogen bond between N-H in BMAPA amine and C-O group PCBM indicated by the redshift of N-H stretching mode from ≈3284 to 3282.7 cm −1 as shown in Figure 2h. [27] We speculate these strong interactions, which are illustrated in Figure 2i, should prevent the aggregation of PCBM molecules during drying.…”

Section: Etl Ink Design and Bladingmentioning

confidence: 97%

Blading of Conformal Electron‐Transport Layers in p–i–n Perovskite Solar Cells

Uddin

Rana

et al. 2022

Advanced Materials

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as blading, [3,4] slot die, [5,6] bar-coating, [7] etc. However nearly all the reported perovskite modules still have a combination of different deposition methods for perovskites and charge-transport layers in a perovskite solar module, despite these layers can in principle be coated by all-solution-processes. [8][9][10] For p-i-n structure perovskite modules, the hole-transport layer (HTL) such as poly[bis(4-phenyl)(2,5,6-trimethylphenyl)amine (PTAA) and perovskite layer are already bladed, [4] while ETLs were still deposited by a high-vacuum process. It will become the rate limiting bottleneck in mass production process, in addition to the extra cost associated with it. Thus, for the commercialization of this rising technology, scalable fabrication of all the functional layers, including HTL, perovskite layer and ETLs is necessary for both sheet-to-sheet and roll-to-roll fabrication to reduce the cost and increase fabrication throughput. There are already several attempts to fabricate perovskite solar cells by all solution process using scalable coating methods. [11][12][13] However, these studies only resulted in devices with much lower performance than those made of evaporated ETL. For example, few attempts to fabricate PCS with all the bladed layers except evaporation of metal contact delivered a maximum power conversion efficiency (PCE) ranging from 14.9% to 20.3%. [11,12] Other studies reported fully spray-coated PSCs but with relatively lower efficiency ranging from 9% to 12%. [13,14] Slot-die coating reported to print the PCBM layer and other layers on flexible substrates showed much lower efficiency (2.9-11.2%) compared to those of aforementioned techniques. [15,16] These low-performance PSCs came from the difficulty in coating high-quality ETLs on rough perovskite films. Perovskite films made by solution process are generally rough with a peakto-valley difference exceeding 80 nm; however, the optimal thickness of fullerene and its derivatives, the most studied electron-transport materials in perovskite solar cells, is generally around 30 nm. Direct blading of PCBM films on perovskite films generally results in noncontinuous and nonconformal coating on perovskites. In addition, the aggregations of PCBM molecules associated with solution deposition methods would make the fiormity even worse. Thus, perovskites can directly contact metal electrodes, which increases nonradiative Perovskite solar cells (PSCs) are promising to reduce the cost of photovoltaic system due to their low-cost raw materials and high-throughput solution process; however, fabrication of all the active layers in perovskite modules using a scalable solution process has not yet been demonstrated. Herein, the fabrication of highly efficient PSCs and modules in ambient conditions is reported, with all layers bladed except the metal electrode, by blading a 36 ± 9 nmthick electron-transport layer (ETL) on perovskite films with a roughness of ≈80 nm. A combination of additives in phenyl-C 61 -butyric acid methyl ester (PCBM) allows the PCBM ...

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