Journal Article

PUBDB-2019-00735

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Study of the electronic structure of electron accepting cyano-films: TCNQ versus TCNE

Capitan, M. J. (Corresponding author)Extern* ; Álvarez, J. ; Navio, C.

2018
RSC Publ. Cambridge

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Please use a persistent id in citations: doi:10.1039/C7CP07963J  doi:10.3204/PUBDB-2019-00735

Abstract: n 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.

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Contributing Institute(s):

1. DOOR-User (DOOR)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)

Experiment(s):

1. DORIS Beamline W1 (DORIS III)

Appears in the scientific report 2018

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Database coverage:
; ; ; Allianz-Lizenz / DFG ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; National-Konsortium ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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