Organic light-emitting diodes driven by pentacene-based thin-film transistors

Kitamura, M.; Imada, Tadahiro; Arakawa, Yasuhiko

doi:10.1063/1.1620676

Cited by 116 publications

(74 citation statements)

References 19 publications

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“…3(b) for selected intramolecular phonons. Note that the intermolecular phonons have either zero or very small minimum frequency since they correspond to transverse acoustic (TA) and longitudinal acoustic (LA) vibrations (modes 1-3) or other rigid vibrations or librations of the molecules (modes [4][5][6][7][8][9][10][11][12]. By contrast, the intramolecular modes 20-90 in Fig.…”

Section: Resultsmentioning

confidence: 99%

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Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal

et al. 2018

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Predicting charge transport in organic molecular crystals is notoriously challenging. Carrier mobility calculations in organic semiconductors are dominated by quantum chemistry methods based on charge hopping, which are laborious and only moderately accurate. We compute from first principles the electron-phonon scattering and the phonon-limited hole mobility of naphthalene crystal in the framework of ab initio band theory. Our calculations combine GW electronic bandstructures, ab initio electron-phonon scattering, and the Boltzmann transport equation. The calculated hole mobility is in very good agreement with experiment between 100-300 K, and we can predict its temperature dependence with high accuracy. We show that scattering between intermolecular phonons and holes regulates the mobility, though intramolecular phonons possess the strongest coupling with holes. We revisit the common belief that only rigid molecular motions affect carrier dynamics in organic molecular crystals. Our paper provides a quantitative and rigorous framework to compute charge transport in organic crystals and is a first step toward reconciling band theory and carrier hopping computational methods.

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Section: Resultsmentioning

confidence: 99%

“…Organic semiconductors are lead candidates for novel optoelectronics and spintronics applications [1,2]. Crystals like pentacene and rubrene are already widely used in organic field-effect transistors and light-emitting devices [3][4][5].…”

Section: Introductionmentioning

confidence: 99%

Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal

et al. 2018

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“…Anthracene (C 14 H 10 ) and pentacene (C 22 H 14 ) adsorbed on the Ag(111) surface are particularly interesting systems because of the frequent use of silver as electrode and the promising properties of the anthracene and pentacene compounds; both compounds exhibit high carrier mobility 1 and excellent electroluminescence and photoluminescence 2 , and have great potential for use in organic light-emitting diodes 3 and organic field effect transistors 4 . Experimental studies have reported that both anthracene and pentacene monolayers weakly adsorb on Ag(111), as characteristic of physisorption or weak chemisorption [5][6][7][8][9][10] , which suggests that van der Waals interactions (vdW) play an important role in the binding of these systems.…”

Section: Introductionmentioning

confidence: 99%

The role of the van der Waals interactions in the adsorption of anthracene and pentacene on the Ag(111) surface

Morbec

Kratzer

2017

The Journal of Chemical Physics

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Using first-principles calculations based on density-functional theory (DFT) we investigated the effects of the van der Waals (vdW) interactions on the structural and electronic properties of anthracene and pentacene adsorbed on the Ag(111) surface. We found that the inclusion of vdW corrections strongly affects the binding of both anthracene/Ag(111) and pentacene/Ag(111), yielding adsorption heights and energies more consistent with the experimental results than standard DFT calculations with generalized gradient approximation (GGA). For anthracene/Ag(111) the effect of the vdW interactions is even more dramatic: we found that "pure" DFT-GGA calculations (without including vdW corrections) result in preference for a tilted configuration, in contrast to experimental observations of flat-lying adsorption; including vdW corrections, on the other hand, alters the binding geometry of anthracene/Ag(111), favoring the flat configuration. The electronic structure obtained using a self-consistent vdW scheme was found to be nearly indistinguishable from the conventional DFT electronic structure once the correct vdW geometry is employed for these physisorbed systems. Moreover, we show that a vdW correction scheme based on a hybrid functional DFT calculation (HSE) results in an improved description of the highest occupied molecular level of the adsorbed molecules.

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“…而对于任何可能的实际应用, 一般要求场效应晶体管的迁移率超过 0.01 cm 2 •V -1 •s -1 , 开关比大于 10 3 [5] . 有机半导体材料是 OFET 中的核心部件, 其性能直接决定晶体管的优劣 [6] .…”

Section: 引言unclassified

Synthesis of Pentacene Analogues Containing Heteroatoms and Study of Their Field-effect Performance

Zhu¹,

Luo²,

Wang³

et al. 2012

Acta Chim. Sinica

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Organic light-emitting diodes driven by pentacene-based thin-film transistors

Abstract: Articles you may be interested inFlexible full color organic light-emitting diode display on polyimide plastic substrate driven by amorphous indium gallium zinc oxide thin-film transistors Appl. Phys. Lett. 95, 013503 (2009);

Cited by 116 publications

References 19 publications

Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal

Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal

The role of the van der Waals interactions in the adsorption of anthracene and pentacene on the Ag(111) surface

Synthesis of Pentacene Analogues Containing Heteroatoms and Study of Their Field-effect Performance

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