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Study of the electronic structure of electron accepting cyano-films: TCNQversusTCNEPACS: 71. Electronic structure of bulk materials, 71.20.-b Electron density of states and band structure of crystalline solids, 73.20.-r electron states at surfaces and interfaces. 73.61.-r electrical properties of specific thin films, 73.61.Ph polymers; organic compounds
Erscheinungsjahr
2018-04
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
In this article, we perform systematic research on the electronic structure of two closely related organic electron acceptor molecules (
TCNQ
and
TCNE
), which are of technological interest due to their outstanding electronic properties. These studies have been performed from the experimental point of view by the use electron spectroscopies (XPS and UPS) and supported theoretically by the use of
ab-initio
DFT calculations. The cross-check between both molecules allows us to identify the characteristic electronic features of each part of the molecules and their contribution to the final electronic structure. We can describe the nature of the band gap of these materials, and we relate this with the appearance of the shake-up features in the core level spectra. A band bending and energy gap reduction of the aforementioned electronic structure in contact with a metal surface are seen in the experimental results as well in the theoretical calculations. This behavior implies that the
TCNQ
thin film accepts electrons from the metal substrate becoming a Schottky n-junction.
A comparative study of the electronic structure of two closely related electron-acceptor molecules when they are grown on a Cu substrate.
Sprache
–
Identifikatoren
ISSN: 1463-9076
eISSN: 1463-9084
DOI: 10.1039/c7cp07963j
Titel-ID: cdi_rsc_primary_c7cp07963j
Format
–
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