Intermolecular energy-band dispersion in oriented thin films of bis(1,2,5-thiadiazolo)-<i>p</i>-quinobis(1,3-dithiole) by angle-resolved photoemission

Hasegawa, Shinji; Mori, Takehiko; Imaeda, Kenichi; Tanaka, Shoji; Yamashita, Yoshiro; Inokuchi, Hiroo; Fujimoto, Hitoshi; Seki, Kazuhiko; Ueno, Nobuo

doi:10.1063/1.467013

Cited by 85 publications

(56 citation statements)

References 17 publications

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“…We have succeeded in direct observation of the energy-band dispersion in a BTQBT oriented thin film by angle-resolved ultraviolet photoelectron spectroscopy (see Chap. 3) [9]. The experimental bandwidth of the HOMO band is found to be about 0.4 eV, which is in good agreement with the theoretical one.…”

Section: Transport Properlysupporting

confidence: 78%

Novel Organic Semiconductor BTQBT with High Conductivity and High Mobility

Inokuchi

Imaeda

1995

Acta Phys. Pol. A

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We have found a novel organic semiconductor, BTQBT, with a high electrical conductivity of about 10 -3 S cm -1 and a high Hall mobility of about 3 cm2 V-1 s-1 at room temperature. We have also succeeded in measuring the temperature dependence of the Hall mobility. It varies with temperature as Τ-1 ·6 , which agrees with the theoretical Τ -1 '5 dependence for the mobility determined by lattice scattering. The characteristic transport property of BTQBT results from strong intermolecular interactions in the crystal, which is convinced by the energy dispersion with a bandwidth of about 0.5 eV from the theoretical and experimental band structures.

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Section: Transport Properlysupporting

confidence: 78%

Novel Organic Semiconductor BTQBT with High Conductivity and High Mobility

Inokuchi

Imaeda

1995

Acta Phys. Pol. A

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“…This rules out possible solid-state modifications of the valence structure, which could be induced by -stack formation. 38 Although not fully understood, the disagreement between the RHF based DOVS and the experimental spectra is most likely related to electron correlation phenomena, which are not taken into account in the ab initio HF calculations. To address this problem, a DFT-based method, which includes electron-correlation phenomena, was applied.…”

Section: Theoryõexperiments Comparisonmentioning

confidence: 99%

A joint theoretical and experimental study on the electronic properties of phenyl-capped 3,4-ethylenedioxythiophene oligomers

Osikowicz

Gon

Crispin

et al. 2003

The Journal of Chemical Physics

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Document VersionPublisher's PDF, also known as Version of Record (includes final page, issue and volume numbers)Please check the document version of this publication:• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website.• The final author version and the galley proof are versions of the publication after peer review.• The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication Citation for published version (APA):Osikowicz, W., Denier van der Gon, A. W., Crispin, X., Jong, de, M. P., Friedlein, R., Groenendaal, L., ... Salaneck, W. R. (2003). A joint theoretical and experimental study on the electronic properties of phenyl-capped 3,4-ethylenedioxythiophene oligomers. Journal of Chemical Physics, 119(19), 10415-10420. DOI: 10.1063/1.1617273 General rightsCopyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights.• Users may download and print one copy of any publication from the public portal for the purpose of private study or research.• You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal ? Take down policyIf you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim. The electronic structure of a series of phenyl-capped 3,4-ethylenedioxythiophene oligomers has been studied using ultraviolet photoelectron spectroscopy ͑UPS͒ in combination with theoretical calculations. The calculations were performed for isolated oligomers within the framework of density-functional theory, using the BeckeϩLee-Yang-Parr exchange-correlation functional. Excellent agreement between the UPS spectra and the quantum-chemical calculations allowed for unambiguous interpretation of the results. We use the asymptotic extension of electronic properties of oligomers to discuss the electronic structure of neutral poly͑3,4-ethylenedioxythiophene͒. In addition, experimentally determined ionization potentials for thin films prepared by vapor deposition and spin coating are reported, and are found to depend on the preparation method. The discrepancy is assigned to differences in the molecular packing.

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“…Equation 3.3 has been used successfully in previous organic electronics systems including pentacene [70] and bis(1,2,5-thiadiazolo)-p-quinobis(1,3-dithiole) (BTQBT) [69], as well as k ⊥ for PTCDA layers on MoS 2 [49]. As a measure of orbital overlap in crystalline layers, the transfer integral t from Eq.…”

Section: Implications For Charge Transport Measurementsmentioning

confidence: 99%

Two-photon Photoemission of Organic Semiconductor Molecules on Ag(111)

Yang

2008

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Angle-and time-resolved two-photon photoemission (2PPE) was used to study systems of organic semiconductors on Ag(111). The 2PPE studies focused on electronic behavior specific to interfaces and ultrathin films. Electron time dynamics and band dispersions were characterized for ultrathin films of a prototypical n-type planar aromatic hydrocarbon, PTCDA, and representatives from a family of p-type oligothiophenes.In PTCDA, electronic behavior was correlated with film morphology and growth modes.Within a few monolayers of the interface, image potential states and a LUMO+1 state were detected. The degree to which the LUMO+1 state exhibited a band mass less than a free electron mass depended on the crystallinity of the layer. Similarly, image potential states were measured to have free electron-like effective masses on ordered surfaces, and the effective masses increased with disorder within the thin film. Electron lifetimes were correlated with film growth modes, such that the lifetimes of electrons excited into systems created by layer-by-layer, amorphous film growth increased by orders of magnitude by only a few monolayers from the surface. Conversely, the decay dynamics of electrons in Stranski-Krastanov systems were limited by interaction with the exposed wetting layer, which limited the barrier to decay back into the metal.Oligothiophenes including monothiophene, quaterthiophene, and sexithiophene were deposited on Ag(111), and their electronic energy levels and effective masses were studied as a function of oligothiophene length. The energy gap between HOMO and LUMO decreased with increasing chain length, but effective mass was found to depend on domains 2 from high-or low-temperature growth conditions rather than chain length. In addition, the geometry of the molecule on the surface, e.g., tilted or planar, substantially affected the electronic structure.

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Intermolecular energy-band dispersion in oriented thin films of bis(1,2,5-thiadiazolo)-p-quinobis(1,3-dithiole) by angle-resolved photoemission

Cited by 85 publications

References 17 publications

Novel Organic Semiconductor BTQBT with High Conductivity and High Mobility

Novel Organic Semiconductor BTQBT with High Conductivity and High Mobility

A joint theoretical and experimental study on the electronic properties of phenyl-capped 3,4-ethylenedioxythiophene oligomers

Two-photon Photoemission of Organic Semiconductor Molecules on Ag(111)

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