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Issue 15, 2018
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Study of the electronic structure of electron accepting cyano-films: TCNQversusTCNE

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Abstract

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.

Graphical abstract: Study of the electronic structure of electron accepting cyano-films: TCNQversusTCNE

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Publication details

The article was received on 27 Nov 2017, accepted on 20 Feb 2018 and first published on 04 Apr 2018


Article type: Paper
DOI: 10.1039/C7CP07963J
Citation: Phys. Chem. Chem. Phys., 2018,20, 10450-10459
  • Open access: Creative Commons BY-NC license
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    Study of the electronic structure of electron accepting cyano-films: TCNQversusTCNE

    M. J. Capitán, J. Álvarez and C. Navio, Phys. Chem. Chem. Phys., 2018, 20, 10450
    DOI: 10.1039/C7CP07963J

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