Different views on the electronic structure of nanoscale graphene: aromatic molecule versus quantum dot

Wießner, M.; Lastra, N S Rodríguez; Ziroff, J.; Förster, Frank; Puschnig, Peter; Dössel, Lukas; Müllen, Kläus; Schöll, A.; Reinert, F.

doi:10.1088/1367-2630/14/11/113008

Cited by 35 publications

(46 citation statements)

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“…Because the HOMO and the HOMO–1 are doubly degenerate, 36 the simulations were performed separately, superimposing the results afterward. The simulated PMMs (Figure 3c,d) are in accordance with those of ref (35) and explain the main features of our measurements (Figure 2c,d), albeit without the substructure.…”

Section: Resultssupporting

confidence: 90%

Influence of Film and Substrate Structure on Photoelectron Momentum Maps of Coronene Thin Films on Ag(111)

et al. 2017

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Angle-resolved ultraviolet photoelectron spectroscopy (ARUPS) was measured for one-monolayer coronene films deposited on Ag(111). The (kx,ky)-dependent photoelectron momentum maps (PMMs), which were extracted from the ARUPS data by cuts at fixed binding energies, show finely structured patterns for the highest and the second-highest occupied molecular orbitals. While the substructure of the PMM main features is related to the 4 × 4 commensurate film structure, various features with three-fold symmetry imply an additional influence of the substrate. PMM simulations on the basis of both free-standing coronene assemblies and coronene monolayers on the Ag(111) substrate confirm a sizable molecule–molecule interaction because no substructure was observed for PMM simulations using free coronene molecules.

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Section: Resultssupporting

confidence: 90%

Influence of Film and Substrate Structure on Photoelectron Momentum Maps of Coronene Thin Films on Ag(111)

et al. 2017

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“…The broad and smeared out resonantly enhanced intensity of the 0.8 ML coronene/ Ag(111) film is similar to the signals observed for strongly coupled molecule-metal interfaces [33], which are characterized by an occupied LUMO [34]. Interestingly, in direct PES (with ν = h 40.8 eV) a possible LUMO signal is found to be below the detection limit of approximately 1% with respect to the intensity of the HOMO signal at any point in the probed k-space [35]. Moreover, the strong changes of the interfacial PES core level 4 and NEXAFS spectra with respect to the multilayer spectra, which are generally observed for strongly coupled molecule-metal systems, cannot be found for coronene.…”

Section: Methodssupporting

confidence: 72%

Observation of a molecule–metal interface charge transfer related feature by resonant photoelectron spectroscopy

et al. 2015

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We report the discovery of a charge transfer (CT) related low binding energy feature at a moleculemetal interface by the application of resonant photoelectron spectroscopy (RPES). This interface feature is neither present for molecular bulk samples nor for the clean substrate. A detailed analysis of the spectroscopic signature of the low binding energy feature shows characteristics of electronic interaction not found in other electron spectroscopic techniques. Within a cluster model description this feature is assigned to a particular eigenstate of the photoionized system that is invisible in direct photoelectron spectroscopy but revealed in RPES through a relative resonant enhancement. Interpretations based on considering only the predominant character of the eigenstates explain the low binding energy feature by an occupied lowest unoccupied molecular orbital, which is either realized through CT in the ground or in the intermediate state. This reveals that molecule-metal CT is responsible for this feature. Consequently, our study demonstrates the sensitivity of RPES to electronic interactions and constitutes a new way to investigate CT at molecule-metal interfaces. B K ) [20-22]. If a case of intermediate localization is realized,

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“…Regarding the specific adsorption of PAH molecules based on the DFT formalism, some studies have been achieved [17][18][19] on graphene or metallic surfaces, for structural characterization or influence on graphene electronic properties.…”

Section: Introductionmentioning

confidence: 99%

Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene

et al. 2015

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The structural characterization of polycyclic aromatic hydrocarbon molecules adsorbed on graphene is of fundamental importance in view of the use of graphene or graphene nanoribbons for electronic applications. Before reaching this point, one has to determine the structure of the adsorbed molecules. Here, we study the case of benzene, coronene, and hexabenzocoronene on a graphene layer. First, the adsorption properties of single molecules are calculated using first-principles calculations at the level of density functional theory. We benefit from a recent scheme, particularly adapted for weakly adsorbed molecules, allowing us to precisely calculate the van der Waals contribution. Then, scanning tunneling microscopy (STM) is used to produce images of self-assembled molecules comparing different theoretical approaches to experimental observations. Finally, we consider the imaging of isolated molecules, and we show how the STM tip influences the molecule position by soft mechanical interaction during the scanning process.

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Different views on the electronic structure of nanoscale graphene: aromatic molecule versus quantum dot

Cited by 35 publications

References 46 publications

Influence of Film and Substrate Structure on Photoelectron Momentum Maps of Coronene Thin Films on Ag(111)

Influence of Film and Substrate Structure on Photoelectron Momentum Maps of Coronene Thin Films on Ag(111)

Observation of a molecule–metal interface charge transfer related feature by resonant photoelectron spectroscopy

Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene

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