Periphery group engineering in hole transport materials for efficient perovskite solar cells

Zhang, Ping; Xu, Yining; Tang, Rong; Zhang, Jin; Chen, Kaixing; Liu, Haitao; Wu, Fei; Zhong, Cheng; Liu, Xiaorui; Zhu, Linna

doi:10.1016/j.dyepig.2022.110671

Cited by 9 publications

(8 citation statements)

References 44 publications

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“…It is clear that the pristine perovskite film shows a strong fluorescence emission, and by contrast, the PL intensity of perovskite with HTMs is quenched sharply up to 86.5% for p -CZDPA-PI and 92.0% for 2TPA-PI, respectively. Therefore, due to the efficient extraction ability, an enhanced J sc was achieved for the 2TPA-PI-based devices. – …”

Section: Resultsmentioning

confidence: 99%

Configuration Engineering of Unsymmetrical Structural Hole Transport Material for Efficient and Stable Regular/Inverted Perovskite Solar Cells

Hua,

Luo,

Zong

et al. 2023

ACS Appl. Energy Mater.

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An effective hole transport material (HTM) should have the characteristics of high hole mobility, good film-forming property, and a well-matched energy level. In this work, we designed and synthesized two Y-shaped HTMs, in which the phenanthrol[9,10-d]imidazole group was integrated as the plane π building block into triphenylamine (TPA) or N 3,N 3,N 6,N 6-tetraphenyl-9H-carbazole-3,6-diamine (CZDPA) donors, cited as 2TPA-PI and p-CZDPA-PI, respectively. By adjustment of the incorporation of electron donors and the building block core, the film morphology, hole mobility, and energy band alignment are well manipulated. It is found that an unsymmetrical molecular conformation supports high glass-transition temperature and uniform thin films for both HTMs. Contrary to our expectations, p-CZDPA-PI with large conjugated CZDPA donors shows low hole mobility and up-shifted energy level compared to 2TPA-PI with propeller structural TPA donors. As a result, once utilized as an HTM, 2TPA-PI reveals a maximum efficiency of 17.58 and 20.32% in the inverted and regular perovskite solar cells (PSCs), respectively. Furthermore, it is also found that the energy level alignment is of importance for the HTMs in regular PSCs by comparison to that in inverted PSCs. This work provides an effective strategy for designing compressive HTMs performing well in both regular and inverted PSCs.

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Section: Resultsmentioning

confidence: 99%

Configuration Engineering of Unsymmetrical Structural Hole Transport Material for Efficient and Stable Regular/Inverted Perovskite Solar Cells

Hua,

Luo,

Zong

et al. 2023

ACS Appl. Energy Mater.

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“…8 Determined from TGA (10 • C/min under N 2 atmosphere). 9 Measured by OFETs in the saturation regime. 10,11 Data from Refs.…”

Section: Optical Electrochemical Thermal and Photophysical Propertiesmentioning

confidence: 99%

“…In conventional PSC structures, hole-transporting material (HTM) is a key component to achieve high-performance and stable devices, and to reduce hysteresis [8,9]. Its role consists of extracting and transporting photogenerated holes, blocking electrons and protecting the perovskite active layer from external stress such as moisture, oxygen and heat [8,10].…”

Section: Introductionmentioning

confidence: 99%

D-π-A-Type Pyrazolo[1,5-a]pyrimidine-Based Hole-Transporting Materials for Perovskite Solar Cells: Effect of the Functionalization Position

et al. 2022

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Donor–acceptor (D–A) small molecules are regarded as promising hole-transporting materials for perovskite solar cells (PSCs) due to their tunable optoelectronic properties. This paper reports the design, synthesis and characterization of three novel isomeric D-π-A small molecules PY1, PY2 and PY3. The chemical structures of the molecules consist of a pyrazolo[1,5-a]pyrimidine acceptor core functionalized with one 3,6-bis(4,4′-dimethoxydiphenylamino)carbazole (3,6-CzDMPA) donor moiety via a phenyl π-spacer at the 3, 5 and 7 positions, respectively. The isolated compounds possess suitable energy levels, sufficient thermal stability (Td > 400 °C), molecular glass behavior with Tg values in the range of 127–136 °C slightly higher than that of the reference material Spiro-OMeTAD (126 °C) and acceptable hydrophobicity. Undoped PY1 demonstrates the highest hole mobility (3 × 10−6 cm2 V−1 s−1) compared to PY2 and PY3 (1.3 × 10−6 cm2 V−1 s−1). The whole isomers were incorporated as doped HTMs in planar n-i-p PSCs based on double cation perovskite FA0.85Cs0.15Pb(I0.85Br0.15)3. The non-optimized device fabricated using PY1 exhibited a power conversion efficiency (PCE) of 12.41%, similar to that obtained using the reference, Spiro-OMeTAD, which demonstrated a maximum PCE of 12.58% under the same conditions. The PY2 and PY3 materials demonstrated slightly lower performance in device configuration, with relatively moderate PCEs of 10.21% and 10.82%, respectively, and slight hysteresis behavior (−0.01 and 0.02). The preliminary stability testing of PSCs is also described. The PY1-based device exhibited better stability than the device using Spiro-OMeTAD, which could be related to its slightly superior hydrophobic character preventing water diffusion into the perovskite layer.

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“…Hole-transporting materials (HTMs), as an indispensable component in conventional n–i–p perovskite solar cells (PSCs), have received extensive research attention due to their easy synthesis and abundant raw materials. − Rational structural engineering of HTMs with suitable energy levels, high hole mobility, and good interfacial property is believed to be essential for the acquirement of excellent cell efficiency and stability. − So far, much effort has been devoted to promoting the performance of HTMs. − Moreover, among the various HTMs, helicene-based semiconductor molecules with contorted π-surfaces have shown great potential to be a kind of superb HTMs. − …”

Section: Introductionmentioning

confidence: 99%

Interfacial and Molecular Engineering of a Helicene-Based Molecular Semiconductor for Stable and Efficient Perovskite Solar Cells

Sun

Long

2023

J. Phys. Chem. C

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Due to the attractive optoelectronic properties and extensive application in solar cells, the design of new helicene-type molecular semiconductors is of remarkable importance for development of high-efficiency hole-transporting materials (HTMs). In this work, three helicene HTMs are constructed on the basis of the molecular conformation of experimentally reported T5H-OMeDPA by replacing the thia[5]helicene unit with a more curved π-linker of dithia[6]helicene and considering the effects of fluorine substitution. The electronic and optical properties, hole transport, and interfacial property are studied with quantum chemistry methods, and the results show that new tailored HTMs perform much better than T5H-OMeDPA in terms of the calculated HOMO levels, hole mobility, optical adsorption, solubility and stability, interfacial stability, and hole transfer. The more stable HOMO levels of new HTMs (SM31–SM33) will be beneficial for the regulation of interfacial energy alignment. Importantly, the hole mobilities of the designed HTMs are also distinctly improved due to the enhanced electronic coupling and lowered hole reorganization energies. The fluorine substitution can clearly heighten the orbital overlapping via compact molecule packing. In the meantime, dithia[6]helicene can lower the reorganization energy although the more curved π-electron system often disturbs the intermolecular π–π stacking. Moreover, our results also reveal that additional Pb–S interactions can effectually promote the interface adsorption and hole extraction. In sum, our study shows the validity of fluorine substitution and introduces helicene with a more extended structure, and three potential helicene-type HTMs are proposed.

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Periphery group engineering in hole transport materials for efficient perovskite solar cells

Cited by 9 publications

References 44 publications

Configuration Engineering of Unsymmetrical Structural Hole Transport Material for Efficient and Stable Regular/Inverted Perovskite Solar Cells

Configuration Engineering of Unsymmetrical Structural Hole Transport Material for Efficient and Stable Regular/Inverted Perovskite Solar Cells

D-π-A-Type Pyrazolo[1,5-a]pyrimidine-Based Hole-Transporting Materials for Perovskite Solar Cells: Effect of the Functionalization Position

Interfacial and Molecular Engineering of a Helicene-Based Molecular Semiconductor for Stable and Efficient Perovskite Solar Cells

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