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1.
J Chem Phys ; 160(14)2024 Apr 14.
Artículo en Inglés | MEDLINE | ID: mdl-38597316

RESUMEN

Pentacene is one of the most investigated organic semiconductors. It is well known that the motion of excitons in pentacene and other organic semiconductors is determined by inter-molecular exciton coupling based on charge-transfer processes. In the present study, we demonstrate the impact of the admixture of tetracene, which has a larger band gap and interrupts the pentacene-pentacene interaction, on the exciton behavior in pentacene. Using a combination of optical absorption and electron energy-loss spectroscopy, we show that both the Davydov splitting and the exciton band width in pentacene strongly decrease with increasing tetracene concentration, while the decrease of the exciton band width is substantially larger.

2.
ACS Omega ; 7(41): 36902, 2022 Oct 18.
Artículo en Inglés | MEDLINE | ID: mdl-36278061

RESUMEN

[This corrects the article DOI: 10.1021/acsomega.2c01987.].

3.
ACS Omega ; 7(24): 21183-21191, 2022 Jun 21.
Artículo en Inglés | MEDLINE | ID: mdl-35755348

RESUMEN

High-quality single crystals of the organic semiconductor (1,2;8,9)-dibenzopentacene were grown via physical vapor transport. The crystal structure-unknown before-was determined by single-crystal X-ray diffraction; polarization-dependent optical absorption measurements display a large anisotropy in the ac plane of the crystals. The overall Davydov splitting is ∼110 meV, which is slightly lower than that in the close relative pentacene (120 meV). Momentum-dependent electron energy-loss spectroscopy measurements show a clear exciton dispersion of the Davydov components. An analysis of the dispersion using a simple 1D model indicates smaller electron- and hole-transfer integrals in dibenzopentacene as compared to pentacene. The spectral weight distribution of the excitation spectra is strongly momentum-dependent and demonstrates a strong momentum-dependent admixture of Frenkel excitons, charge-transfer excitons, and vibrational modes.

4.
Inorg Chem ; 59(23): 16913-16923, 2020 Dec 07.
Artículo en Inglés | MEDLINE | ID: mdl-33205960

RESUMEN

We present a systematic study of the evolution of structural parameters and electronic correlations as a function of 3d band filling in a single crystal series of BaT2As2 (T = Cr-Cu). The structure trends are discussed in relation to the orbital occupation of the corresponding d elements supported by calculations of the charge density and electron localization function. Analysis of our specific heat data yields the mass enhancement (m*/mb) throughout the series. By combining the structural data with the mass enhancement values, we find that the decrease in m*/mb for n > 5 follows an increase of the crystal field splitting, determined by the progressive distortion of the As-T-As angle from the ideal tetrahedral environment. This study finds a strong interplay between crystal structure, bonding behavior, band filling, and electronic properties.

5.
J Chem Phys ; 149(8): 084704, 2018 Aug 28.
Artículo en Inglés | MEDLINE | ID: mdl-30193487

RESUMEN

The electronic excitation spectrum of ß-CuPc has been investigated using electron energy-loss spectroscopy in transmission. Our results demonstrate a rather strong momentum dependence of the lowest exciton features. Both main components show a negative dispersion, and the momentum dependence indicates that this negative dispersion is parallel to the molecular stacks in ß-CuPc. In addition, the spectral shape also varies upon increasing momentum transfer indicating a particular momentum dependence of the inter-molecular interactions.

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