X‐Ray Standing Waves and Surfaces X‐Ray Scattering Studies of Molecule–Metal Interfaces

Gerlach, Alexander; Bürker, Christoph; Hosokai, Takuya; Schreiber, Frank

doi:10.1002/9783527653171.ch6

Cited by 15 publications

(21 citation statements)

References 53 publications

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“…In the case of organic molecular (sub)monolayers, expected adsorption heights are in the range between 2.2 and 3.6 Å. 28 d 0 is therefore sufficiently large to make all n values but one unreasonable. Here we safely assume n = 1 in all cases.…”

Section: Resultsmentioning

confidence: 99%

Self-Assembly of Bicomponent Molecular Monolayers: Adsorption Height Changes and Their Consequences

et al. 2014

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Codeposition of two molecular species [CuPc (donor) and PFP (acceptor)] on noble metal (111) surfaces leads to the self-assembly of an ordered mixed layer with maximized donor-acceptor contact area. The main driving force behind this arrangement is assumed to be the intermolecular C-F ··· H-C hydrogen-bond interactions. Such interactions would be maximized for a coplanar molecular arrangement. However, precise measurement of molecule-substrate distances in the molecular mixture reveals significantly larger adsorption heights for PFP than for CuPc. Most surprisingly, instead of leveling to increase hydrogen bond interactions, the height difference is enhanced in mixed layers as compared to the heights found in single component CuPc and PFP layers, resulting in an overall reduced interaction with the underlying substrate. The influence of the increased height of PFP on the interface dipole is investigated through work function measurements.

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Section: Resultsmentioning

confidence: 99%

Self-Assembly of Bicomponent Molecular Monolayers: Adsorption Height Changes and Their Consequences

et al. 2014

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“…Of course, there is also a large body of experimental work focussing on interface structures, [18][19][20] but in our view the systematic connection between electronic and geometric structures of these interfaces has not been investigated sufficiently so far, since the majority of previous studies, including our own, have -with a few notable exceptions (e.g. ref.…”

Section: Introductionmentioning

confidence: 99%

The interplay between interface structure, energy level alignment and chemical bonding strength at organic–metal interfaces

Willenbockel

Lüftner

Stadtmüller

et al. 2015

Phys. Chem. Chem. Phys.

105

144

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What do energy level alignments at metal-organic interfaces reveal about the metal-molecule bonding strength? Is it permissible to take vertical adsorption heights as indicators of bonding strengths? In this paper we analyse 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on the three canonical low index Ag surfaces to provide exemplary answers to these questions. Specifically, we employ angular resolved photoemission spectroscopy for a systematic study of the energy level alignments of the two uppermost frontier states in ordered monolayer phases of PTCDA. Data are analysed using the orbital tomography approach. This allows the unambiguous identification of the orbital character of these states, and also the discrimination between inequivalent species. Combining this experimental information with DFT calculations and the generic Newns-Anderson chemisorption model, we analyse the alignments of highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) with respect to the vacuum levels of bare and molecule-covered surfaces. This reveals clear differences between the two frontier states. In particular, on all surfaces the LUMO is subject to considerable bond stabilization through the interaction between the molecular π-electron system and the metal, as a consequence of which it also becomes occupied. Moreover, we observe a larger bond stabilization for the more open surfaces. Most importantly, our analysis shows that both the orbital binding energies of the LUMO and the overall adsorption heights of the molecule are linked to the strength of the chemical interaction between the molecular π-electron system and the metal, in the sense that stronger bonding leads to shorter adsorption heights and larger orbital binding energies.

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“…Fig. 1 shows the photoelectron yield ( Y p ), i.e., the photoemission intensity of the core-levels as a function of the photon energy, which allowed to determine the coherent position ( P H ) and the coherent fraction ( f H ) of the adsorbate atoms [ 66 , 69 ]. The former gave the adsorption distance in terms of the lattice spacing of the silver substrate: d H = d 0 ( n + P H ) (typical precision < 0.05 Å), with n being an integer.…”

Section: Resultsmentioning

confidence: 99%

Impact of fluorination on interface energetics and growth of pentacene on Ag(111)

Wang¹,

Chen²,

Franco-Cañellas³

et al. 2020

Beilstein J. Nanotechnol.

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We studied the structural and electronic properties of 2,3,9,10-tetrafluoropentacene (F4PEN) on Ag(111) via X-ray standing waves (XSW), low-energy electron diffraction (LEED) as well as ultraviolet and X-ray photoelectron spectroscopy (UPS and XPS). XSW revealed that the adsorption distances of F4PEN in (sub)monolayers on Ag(111) were 3.00 Å for carbon atoms and 3.05 Å for fluorine atoms. The F4PEN monolayer was essentially lying on Ag(111), and multilayers adopted π-stacking. Our study shed light not only on the F4PEN–Ag(111) interface but also on the fundamental adsorption behavior of fluorinated pentacene derivatives on metals in the context of interface energetics and growth mode.

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X‐Ray Standing Waves and Surfaces X‐Ray Scattering Studies of Molecule–Metal Interfaces

Cited by 15 publications

References 53 publications

Self-Assembly of Bicomponent Molecular Monolayers: Adsorption Height Changes and Their Consequences

Self-Assembly of Bicomponent Molecular Monolayers: Adsorption Height Changes and Their Consequences

The interplay between interface structure, energy level alignment and chemical bonding strength at organic–metal interfaces

Impact of fluorination on interface energetics and growth of pentacene on Ag(111)

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