Work-function modification beyond pinning: When do molecular dipoles count?

Nano Letters

Volumn 10, Issue 11, 2010, Pages 4369-4374

  Hofmann, Oliver T ^a   Egger, David A ^a   Zojer, Egbert ^a  

^a GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Fermi level pinning; interfaces; metal organic; molecular dipoles; molecular electronics; organic electronics; self assembled monolayers; Work function modification

Indexed keywords

FERMI LEVEL PINNING; INTERFACES; METAL-ORGANIC; MOLECULAR DIPOLE; ORGANIC ELECTRONICS;

DENSITY FUNCTIONAL THEORY; METALS; MOLECULAR ELECTRONICS;

SELF ASSEMBLED MONOLAYERS;

METAL;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTROMAGNETIC FIELD; ELECTRON TRANSPORT; SURFACE PROPERTY;

COMPUTER SIMULATION; ELECTROMAGNETIC FIELDS; ELECTRON TRANSPORT; METALS; MODELS, CHEMICAL; SURFACE PROPERTIES;

EID: 78449282205     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl101874k     Document Type: Article

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45. While Fermi-level pinning has been observed experimentally for MV0 and also F4TCNQ, such molecules to the best of our knowledge have not yet been investigated experimentally. As a consequence, bearing in mind the well known band-gap problem of DFT, it cannot be guaranteed that Fermi level pinning actually occurs in this SAM. This does, however, in no way affect the fundamental conclusions drawn here.