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Tuning the work function of graphene-on-quartz with a high weight molecular acceptor
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2014 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 118, no 9, 4784-4790 p.Article in journal (Refereed) Published
Abstract [en]

Ultraviolet and X-ray photoelectron spectroscopies in combination with density functional theory (DFT) calculations were used to study the change in the work function (Φ) of graphene, supported by quartz, as induced by adsorption of hexaazatriphenylene-hexacarbonitrile (HATCN). Near edge X-ray absorption fine structure spectroscopy (NEXAFS) and DFT modeling show that a molecular-density-dependent reorientation of HATCN from a planar to a vertically inclined adsorption geometry occurs upon increasing surface coverage. This, in conjunction with the orientation-dependent magnitude of the interface dipole, allows one to explain the evolution of graphene Φ from 4.5 eV up to 5.7 eV, rendering the molecularly modified graphene-on-quartz a highly suitable hole injection electrode. © 2014 American Chemical Society.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2014. Vol. 118, no 9, 4784-4790 p.
Keyword [en]
Adsorption geometries, DFT modeling, Hole injection, Interface dipole, Near edge x-ray absorption fine structure spectroscopies, Surface coverages, Adsorption, Quartz, Work function, X ray absorption fine structure spectroscopy, X ray photoelectron spectroscopy, Graphene
National Category
Theoretical Chemistry
URN: urn:nbn:se:kth:diva-198725DOI: 10.1021/jp4122408ISI: 000332756000024ScopusID: 2-s2.0-84897713744OAI: diva2:1059108

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Available from: 2016-12-22 Created: 2016-12-21 Last updated: 2017-01-10Bibliographically approved

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