Substrate-dependent lateral order in naphthalene-tetracarboxylic-dianhydride monolayers

Fink, R.; Gador, D.; Stahl, U.; Zou, Ying; Umbach, E.

doi:10.1103/physrevb.60.2818

Cited by 34 publications

(43 citation statements)

References 31 publications

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“…5a) also chemisorbs flat lying on Ag(110) resulting in a hybridization and filling of the LUMO. The molecules are arranged in rows 38 in the (1 10)-direction as illustrated in Fig. 5, thus the largest band width of 180 meV is observed for the LUMO in this direction.…”

Section: Resultsmentioning

confidence: 99%

“…The ARPES data for NTCDA/Ag(110) was recorded at beamline 9 Å of the Hiroshima Synchrotron Radiation Centre using photons with circular polarization and a photon energy hv ¼ 36 eV. The beamline is equipped with a 6-axes manipulator (i-GONIO, R-Dec Co.) and a Scienta R4000 photoelectron analyser enabling photoemission measurements with an energy resolution better than 10 meV at a base pressure of 4 Â 10 À 11 mbar 35,38,44,45 .…”

Section: Methodsmentioning

confidence: 99%

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Substrate-mediated band-dispersion of adsorbate molecular states

et al. 2013

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Charge carrier mobilities in molecular condensates are usually small, as the coherent transport, which is highly effective in conventional semiconductors, is impeded by disorder and the small intermolecular coupling. A significant band dispersion can usually only be observed in exceptional cases such as for p-stacking of aromatic molecules in organic single crystals. Here based on angular resolved photoemission, we demonstrate on the example of planar p-conjugated molecules that the hybridization with a metal substrate can substantially increase the delocalization of the molecular states in selective directions along the surface. Supported by ab initio calculations we show how this mechanism couples the individual molecules within the organic layer resulting in an enhancement of the in-plane charge carrier mobility.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Substrate-mediated band-dispersion of adsorbate molecular states

et al. 2013

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“…The superstructure of the so-called relaxed NTCDA monolayer on Ag(111) 18,19 has a rectangular unit cell of 11.56 × 15.02Å 2 , which also contains two molecules (see Fig. 1, right).…”

Section: Model and Computation Detailsmentioning

confidence: 99%

Transformation of the Ag(111) surface state due to molecule-surface interaction with ordered organic molecular monolayers

et al. 2012

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We present a detailed study of 3,4,9,10-perylene-and 1,4,5,8-naphthalene-tetracarboxylic acid dianhydride monolayers adsorbed on Ag(111) film. The study is based on density functional theory with the use of a periodic slab model. The slab is chosen to contain an organic molecular monolayer on a silver thin film of different thicknesses (6, 9, and 12 layers) with the (111) orientation. We show that in both cases there is a similarity in formation of an unoccupied interface state from a surface state of the bare Ag(111) film due to the adsorbate-substrate interaction. The energy difference between the initial surface state and the resulting interface state varies with the film thickness, the adsorption distance, and the molecule size and geometry, whereas the effective mass of the state remains practically unchanged. Also, we demonstrate that the interface-state charge distribution preserves its localization in the interface region at different wave vectors k and in the vicinity of the molecular plane resembles lowest unoccupied orbitals of free molecules.

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“…We note that several publications address the adsorption of PTCDA on Ag [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] or other surfaces [2,[19][20][21][22][23][24][25], and also similar molecules have been investigated as adsorbates [1,2,7,20,[26][27][28][29][30][31][32][33]. Here, we concentrate on the chemical bonding and on electronic interface states using several complementary high-resolution techniques.…”

Section: Introductionmentioning

confidence: 97%