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Experimental Observation of Anisotropic Valence Band Dispersion in Dinaphtho[2,3-b:2′,3′-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) Single Crystals

R. Takeuchi, Seiichiro Izawa, Yuri Hasegawa, Ryohei Tsuruta, Takuma Yamaguchi, Matthias Meißner, S. Ideta, Kiyohisa Tanaka, Satoshi Kera, Masahiro Hiramoto, Yasuo Nakayama

2021The Journal of Physical Chemistry C11 citationsDOI

Abstract

Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DNTT) is a p-type organic semiconductor that exhibits high charge-carrier mobility and atmospheric stability. Although it has been proposed that the transport mechanism of DNTT is a band transport, the valence band dispersion has not yet been observed experimentally. In this study, we elucidate the valence band structure of DNTT single crystals using angle-resolved ultraviolet photoelectron spectroscopy (ARUPS) along three inequivalent crystallographic directions in the surface Brillouin zone (SBZ). The valence band maximum (VBM) is verified to be positioned at the Γ point, and the ionization energy of a DNTT single crystal is determined to be 5.02 eV at the VBM. The effective mass of hole is derived from the curvature of the experimental valence band at the Γ point in all three directions, where the lowest value of 2.6 (± 0.2)m0 is measured along the Γ–S direction.

Topics & Concepts

Valence (chemistry)Ultraviolet photoelectron spectroscopyChemistrySingle crystalAnisotropyOrganic semiconductorX-ray photoelectron spectroscopyBand gapAngle-resolved photoemission spectroscopyThiopheneCrystallographyMaterials scienceElectronic structureComputational chemistryOpticsNuclear magnetic resonanceOptoelectronicsPhysicsOrganic chemistryOrganic Electronics and PhotovoltaicsMolecular Junctions and NanostructuresSemiconductor materials and interfaces
Experimental Observation of Anisotropic Valence Band Dispersion in Dinaphtho[2,3-b:2′,3′-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) Single Crystals | Litcius