Influence of Substrate Surface-Induced Defects on the Interface State between NaCl(100) and Ag(111)

Heidorn, Sarah-Charlotta; Bertram, Cord; Koch, Julian; Boom, Konrad; Matthaei, F.; Safiei, A.; Henzl, Jörg; Morgenstern, Karina

doi:10.1021/jp405297h

Cited by 27 publications

(55 citation statements)

References 43 publications

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“…59,60 This interpretation was subsequently confirmed by density-functional theory (DFT) calculations. [61][62][63][64][65][66] In the meantime, additional molecules, e.g., NTCDA, 63 H 2 Pc and FePc 48 grown on Ag(111) and other substrates have been investigated, [67][68][69][70][71][72][73][74][75][76][77][78][79] which confirm the rather general phenomenon of the existence of interface states. Such a state can be successfully described by a model potential combining the metal substrate and a flat π-conjugated molecular layer.…”

Section: Tiopc-ag Interface Statementioning

confidence: 59%

Electronic Structure of Titanylphthalocyanine Layers on Ag(111)

Lerch¹,

Fernández

Ilyn

et al. 2017

J. Phys. Chem. C

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We have investigated the electronic structures of axially oxo functionalized titanylphthalocyanine (TiOPc) on Ag(111) by X-ray and ultraviolet photoelectron spectroscopy, two-photon photoemission, X-ray absorption spectroscopy, and X-ray magnetic circular dichroism. Furthermore, we use complementary data of TiOPc on graphite and planar copper phthalocyanine (CuPc) on Ag(111) for a comparative analysis. Both molecules adsorb on Ag(111) in a parallel orientation to the surface, for TiOPc with an oxygen-up configuration. The interaction of nitrogen and carbon atoms with the substrate is similar for both molecules while the bonding of the titanium atom to Ag(111) in the monolayer is found to be slightly more pronounced than in the CuPc case. Ultraviolet photoemission spectroscopy reveals an occupation of the lowest unoccupied molecular orbital (LUMO) level in monolayer thick TiOPc on Ag(111) related to the interaction of the molecules and the silver substrate. This molecule-metal interaction also causes an upward shift of the Ag(111) Shockley state that is transformed into an unoccupied interface state with energies of 0.23 and 0.33 eV for the TiOPc mono-and bilayer, respectively, at the Brillouin zone center.

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Section: Tiopc-ag Interface Statementioning

confidence: 59%

Electronic Structure of Titanylphthalocyanine Layers on Ag(111)

Lerch¹,

Fernández

Ilyn

et al. 2017

J. Phys. Chem. C

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show abstract

“…It is important to note that molecules of the same type (that is, with equivalent molecular environments) do not have equivalent adsorption sites with respect to the Moiré pattern resulting from the lattice mismatch between NaCl (2 ML) and the underlying Ag(111) lattice 54 (see Supplementary Fig. 1 and Note 3 ).…”

Section: Resultsmentioning

confidence: 99%

Pronounced polarization-induced energy level shifts at boundaries of organic semiconductor nanostructures

et al. 2015

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Organic semiconductor devices rely on the movement of charge at and near interfaces, making an understanding of energy level alignment at these boundaries an essential element of optimizing materials for electronic and optoelectronic applications. Here we employ low temperature scanning tunneling microscopy and spectroscopy to investigate a model system: two-dimensional nanostructures of the prototypical organic semiconductor, PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) adsorbed on NaCl (2 ML)/Ag(111). Pixel-by-pixel scanning tunneling spectroscopy allows mapping of occupied and unoccupied electronic states across these nanoislands with sub-molecular spatial resolution, revealing strong electronic differences between molecules at the edges and those in the centre, with energy level shifts of up to 400 meV. We attribute this to the change in electrostatic environment at the boundaries of clusters, namely via polarization of neighbouring molecules. The observation of these strong shifts illustrates a crucial issue: interfacial energy level alignment can differ substantially from the bulk electronic structure in organic materials.

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“…On reconstructed Au (111) 17 For 1L NaCl(001) on reconstructed Au(111), we find that the periodicity λ of the SW patterns is typically around 3 nm, similar to the previously reported Moiréperiodicities for the case of NaCl on Ag(111). 18 For 1L NaCl in Au vacancy islands, the NaCl layers are hampered in orienting themselves easily along one of the preferential directions because of the small size of the vacancy islands, yielding a broader variety of pattern orientations and periodicities that are typically in the 1−3 nm range.…”

Section: Resultsmentioning

confidence: 99%

Engineering the Band Structure of Nanoparticles by an Incommensurate Cover Layer

Schouteden

Iancu

et al. 2014

J. Phys. Chem. C

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The electronic properties of nanometer size Au(111) vacancy islands are modified by covering the islands with an atomically thin NaCl(001) layer. The large-scale commensurability between the atomic lattices of the cover layer and the islands gives rise to various Moire-effect-induced standing wave patterns of which the periodicity and orientation depend on the relative angle between the lattices. The observed standing wave patterns are accompanied by the formation of multiple band gaps resulting from the Moire-effect-related periodic potential. Moreover, the energy level quantization and the coverlayer-induced energy shift give rise to partial depopulation of the NaCl/Au interface state. Targeted use of a thin covering layer and the resulting Moire-effect-related potential offers yet unexploited possibilities to conveniently modify the electronic structure of nanoparticles.

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Influence of Substrate Surface-Induced Defects on the Interface State between NaCl(100) and Ag(111)

Cited by 27 publications

References 43 publications

Electronic Structure of Titanylphthalocyanine Layers on Ag(111)

Electronic Structure of Titanylphthalocyanine Layers on Ag(111)

Pronounced polarization-induced energy level shifts at boundaries of organic semiconductor nanostructures

Engineering the Band Structure of Nanoparticles by an Incommensurate Cover Layer

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