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@ARTICLE{Hollerer:837318,
author = {Hollerer, Michael and Lüftner, Daniel and Hurdax, Philipp
and Ules, Thomas and Soubatch, Serguei and Tautz, Frank
Stefan and Koller, Georg and Puschnig, Peter and Sterrer,
Martin and Ramsey, Michael G.},
title = {{C}harge {T}ransfer and {O}rbital {L}evel {A}lignment at
{I}norganic/{O}rganic {I}nterfaces: {T}he {R}ole of
{D}ielectric {I}nterlayers},
journal = {ACS nano},
volume = {11},
number = {6},
issn = {1936-086X},
address = {Washington, DC},
publisher = {Soc.},
reportid = {FZJ-2017-06283},
pages = {6252 - 6260},
year = {2017},
abstract = {It is becoming accepted that ultrathin dielectric layers on
metals are not merely passive decoupling layers, but can
actively influence orbital energy level alignment and charge
transfer at interfaces. As such, they can be important in
applications ranging from catalysis to organic electronics.
However, the details at the molecular level are still under
debate. In this study, we present a comprehensive analysis
of the phenomenon of charge transfer promoted by a
dielectric interlayer with a comparative study of pentacene
adsorbed on Ag(001) with and without an ultrathin MgO
interlayer. Using scanning tunneling microscopy and
photoemission tomography supported by density functional
theory, we are able to identify the orbitals involved and
quantify the degree of charge transfer in both cases.
Fractional charge transfer occurs for pentacene adsorbed on
Ag(001), while the presence of the ultrathin MgO interlayer
promotes integer charge transfer with the lowest unoccupied
molecular orbital transforming into a singly occupied and
singly unoccupied state separated by a large gap around the
Fermi energy. Our experimental approach allows a direct
access to the individual factors governing the energy level
alignment and charge-transfer processes for molecular
adsorbates on inorganic substrates.},
cin = {PGI-3 / JARA-FIT},
ddc = {540},
cid = {I:(DE-Juel1)PGI-3-20110106 / $I:(DE-82)080009_20140620$},
pnm = {141 - Controlling Electron Charge-Based Phenomena
(POF3-141)},
pid = {G:(DE-HGF)POF3-141},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000404808000107},
pubmed = {pmid:28541656},
doi = {10.1021/acsnano.7b02449},
url = {https://juser.fz-juelich.de/record/837318},
}