Journal Article

PUBDB-2019-00341

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Organometallic MTCNQ films: a comparative study of CuTCNQ versus AgTCNQ

Capitán, M. J. (Corresponding author)Extern* ; Alvarez, J. ; Yndurain, F.

2018
Royal Soc. of Chemistry Cambridge

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Please use a persistent id in citations: doi:10.1039/C8CP02438C  doi:10.3204/PUBDB-2019-00341

Abstract: We performed a systematic study of electron-acceptor molecules in two closely related organometallicsolids, namely, CuTCNQ and AgTCNQ. These studies were performed using both an experimentalapproach,viathe use of electron spectroscopies (XPS and UPS), and a theoretical approach,viathe use ofab initioDFT calculations. From these results, a complete description of the electronic structure of thesemolecular solid-films could be given, identifying the characteristic electronic and structural features of eachpart of the molecules and their contribution to the final electronic structure. Empty states were found closeto the Fermi level in both solids. The presence of an electronic band close to the Fermi level is related tothe magnetic behavior predicted for both MTCNQ solids for their isolated monolayers. However, the lowerwork function of the MTCNQ with respect to the metal substrate one implies that the MTCNQ film acceptselectron from the metal substrate, thus fulfilling its Fermi level band. This occupied band explains theabsence of shake-up features in the core level spectra in opposition to the TCNQ. The UPS experimentsindicated that the MTCNQ film was doped by a small excess of metal from the substrate, shifting theelectron Fermi level close to the MTCNQ conduction band. Thus, the MTCNQ film becomes an n-typesemiconductor, opening up a very interesting field in the technological applications of this system.

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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:
; ; ; 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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