Interfacial and confined molecular-assembly of poly(3-hexylthiophene) and its application in organic electronic devices

Liang, Junhao; Ouyang, Xiaoying; Cao, Yan

doi:10.1080/14686996.2022.2125826

Cited by 5 publications

(2 citation statements)

References 109 publications

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“…Among a number of conjugated polymers, poly(3-alkylthiophene) (P3AT) has been intensively studied as a model conjugated polymer as well as a material useful for organic photovoltaic devices. ,,− When P3AT is dissolved in an organic solvent, it twists around the inter-ring CC bonds and/or stacks in part with another chain. The effect of these structures on the excited-state dynamics has been studied by time-resolved absorption and emission spectroscopy. − Characteristic time constants were observed in two time scales, 0–1 and 1–100 ps, for the changes of the absorbance and fluorescence intensity.…”

Section: Introductionmentioning

confidence: 99%

Conformational Relaxation Dynamics of Poly(3-hexylthiophene) Photoexcited in Solution as Studied by Femtosecond Time-Resolved Stimulated Raman Spectroscopy in 1190–1550 nm Region

Takaya,

Iwata

2023

J. Phys. Chem. B

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When a conjugated polymer is photoexcited in solution, its effective conjugation length in the singlet exciton state often increases through the conformational relaxation of the polymer main chain and/or hopping of the excitation. We measured femtosecond time-resolved near-IR stimulated Raman spectra of poly(3-hexylthiophene) (P3HT) photoexcited in four organic solvents for understanding the dynamics of the exciton elongation through the conformational relaxation separately from that through the exciton hopping. In the ring CC stretch frequency region, a band appears at around 1415 cm–1 and decays, while a new band rises at around 1370 cm–1. The average time constant of the change is estimated to be 8.7–19 ps and correlated almost linearly with the viscosity of the solvents. These results suggest that the main chain of P3HT in the singlet exciton state relaxes from a twisted form to a planar form in the 0–100 ps range when it surmounts an activation barrier of 5.8–7.8 kJ mol–1, generated possibly by the steric effect of the hexyl side group. When the rise of the 1370 cm–1 band is analyzed in detail, it is reproduced with two exponential rise functions with time constants of 0–3.3 and 16–22 ps. The two rise components suggest that a portion of P3HT forms a cluster in solution, while the other portion of P3HT is isolated.

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Section: Introductionmentioning

confidence: 99%

Conformational Relaxation Dynamics of Poly(3-hexylthiophene) Photoexcited in Solution as Studied by Femtosecond Time-Resolved Stimulated Raman Spectroscopy in 1190–1550 nm Region

Takaya,

Iwata

2023

J. Phys. Chem. B

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“…Organic conjugated semiconducting polymers have become a promising class of functional materials due to their flexibility, low weight, high absorption coefficient, facile solution processability, and high-throughput fabrication steps. , These features have expanded the usability of these materials in various applications, such as organic photovoltaics, sensors, light-emitting diodes, and organic field-effect transistors. − Poly(3-hexylthiophene) (P3HT) is a particularly interesting conjugated polymer with desirable properties, such as high charge mobility, excellent solubility in most solvents, and a high absorption coefficient in the visible range, making it a versatile material for various electronic applications. − Recently, P3HT has been explored for other applications, such as neuromorphic computing and photosynaptic transistors . However, various technological challenges still hinder the production of devices based on organic materials .…”

Section: Introductionmentioning

confidence: 99%

Sputtering Behavior of P3HT under Low-Energy Monoatomic Projectile Bombardment: Insights from Molecular Dynamics Simulations

et al. 2023

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Molecular dynamic computer simulations have been employed to investigate the sputtering process of multilayer poly(3-hexylthiophene) (P3HT) with a layered structure arranged in the Z-direction deposited on a silicon substrate. The sputtering process was induced by low-energy He, Ar, and Xe projectiles. The sputtering yield volume, mass spectra, and structural and chemical damages induced in the bombarded systems are probed depending on the type of projectile and the thickness of the organic overlayer. While most studies are performed with a 500 eV primary kinetic energy and an impact angle of 45°, the effect of these two parameters on the sputtering yield is investigated for the Ar projectile. The main goal is to elucidate the influence of various primary beam properties on the sputtering process and structural and chemical damages occurring in P3HT. The implications of the present results for the chemical analysis of P3HT by secondary ion mass spectrometry (SIMS) or secondary neutral mass spectrometry (SNMS) and low-energy atomic projectiles are discussed. It has been found that the sputtering yield volume is the largest for Ar and the smallest for He. The yield does not depend on the organic overlayer thickness within the computational uncertainty. The number of ejected atoms scaled to the sample atomic density decreases monotonically with depth. Interestingly, the shape of this distribution, known as the information depth distribution, is the same for all investigated projectiles, regardless of their penetration range, which indicates that this quantity is determined by the properties of the sample. Additionally, the projectiles are not deposited equally in the sample volume but are trapped at organic/substrate and interlayer interfaces. The vertical extent of damage is directly related to the projectile range, which is the largest for He and the smallest for Xe. The shape of vertical damage distribution depends in an oscillatory manner on depth. It is shown that the alkyl side chains are mostly damaged. Our results indicate that among all tested projectiles, Ar, followed by Xe, are the best candidates for the chemical analysis of P3HT by SIMS/SNMS techniques.

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Linear and Nonlinear Rheological Investigations of Poly(3-hexylthiophene) H-Aggregated Gel Networks

Dhakar,

Malik

2024

J. Phys. Chem. B

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Owing to its facile synthesis and low cost, poly(3-hexylthiophene) (P3HT) has been extensively investigated in the field of organic electronics. Welldefined packing of P3HT chains and getting controlled morphologies, which solely depend on the polarity of the solvent, remain challenging. Herein, the aggregation behaviors of P3HT in organic solvents having different solvent polarities have been investigated to achieve different orderings of P3HT chains (H-type or J-type). The aggregation in the solution phase and the subsequent structural as well as morphological behaviors of P3HT chains have been investigated by absorption, Xray powder diffraction, and topological studies, respectively. It has been noticed from absorption studies that P3HT forms H-type aggregates in anisole, phenetole, etc., whereas it produces J-type aggregates in toluene. More surprisingly, H-type aggregations of P3HT chains at low concentrations (C P3HT = 0.001 g/cm 3 ) eventually lead to the formation of the gel network that ceases the flow of the solvents. Contrary to expectations, J-type aggregation in toluene does not produce the gel network at the said concentration. Further, to reveal the viscoelastic and microstructural properties, P3HT gel networks have been thoroughly investigated by small-amplitude oscillatory shear (SAOS) and large-amplitude oscillatory shear (LAOS) with varying concentrations, solvents, and molecular weights of P3HT. With quantitative analysis, the nonlinear rheological characteristics of higher harmonics, strain-stiffening ratio, shear-thinning ratio, dissipation ratio, intracycle transient moduli, and derivative of transient moduli have been evaluated for P3HT networks, which significantly provide the rheological information for the understanding of conducting polymer networks.

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Interfacial and confined molecular-assembly of poly(3-hexylthiophene) and its application in organic electronic devices

Cited by 5 publications

References 109 publications

Conformational Relaxation Dynamics of Poly(3-hexylthiophene) Photoexcited in Solution as Studied by Femtosecond Time-Resolved Stimulated Raman Spectroscopy in 1190–1550 nm Region

Conformational Relaxation Dynamics of Poly(3-hexylthiophene) Photoexcited in Solution as Studied by Femtosecond Time-Resolved Stimulated Raman Spectroscopy in 1190–1550 nm Region

Sputtering Behavior of P3HT under Low-Energy Monoatomic Projectile Bombardment: Insights from Molecular Dynamics Simulations

Linear and Nonlinear Rheological Investigations of Poly(3-hexylthiophene) H-Aggregated Gel Networks

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