Gold diggers: Altered reconstruction of the gold surface by physisorbed aromatic oligomers

Scarbath-Evers, Laura Katharina; Todorović, Milica; Golze, Dorothea; Hammer, René; Widdra, W.; Sebastiani, Daniel; Rinke, Patrick

doi:10.1103/physrevmaterials.3.011601

Cited by 4 publications

(14 citation statements)

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“…The partial lifting of the Au(100) reconstruction under the influence of 1 ML of α-6T molecules was reported in Ref. [ 24 ]. The possibility of hex-Au(100) surface deformation by physisorbed molecules was presented therein.…”

Section: Resultsmentioning

confidence: 81%

“…The mechanism of changing the reconstruction was proposed based on the DFT calculations performed for α-6T molecules adsorbed on the hex ridge. The calculations show that the inversion of surface reconstruction by creating the valley with a molecule is more energetically favorable than sliding down α-6T in the nearest valley [ 24 ]. To indicate the processes that occur as the Au(100) reconstruction is lifted by PEN, further experimental and theoretical investigations are needed.…”

Section: Resultsmentioning

confidence: 99%

“…In the case of phenylacetylene molecules, the hex reconstruction was found to be completely transformed to the

phase under the molecular domains [ 11 ]. The indication of partially lifting the hex structure was reported for the monolayer (ML) of α-sexitiophene (α-6T) [ 24 ]. Small stripe-like regions—which appear about 0.7 Å lower than the molecules in large domains—were observed by STM on surface terraces therein.…”

Section: Introductionmentioning

confidence: 99%

“…It was shown that the adsorption of adatoms or molecules could lift the hex reconstruction of Au(100) [ 11 , 23 , 24 , 25 , 26 ]. In the case of phenylacetylene molecules, the hex reconstruction was found to be completely transformed to the

phase under the molecular domains [ 11 ].…”

Section: Introductionmentioning

confidence: 99%

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Au(100) as a Template for Pentacene Monolayer

2021

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The surface of quasi-hexagonal reconstructed Au(100) is used as the template for monolayer pentacene (PEN) self-assembly. The system is characterized by means of scanning tunneling microscopy at room temperature and under an ultra-high vacuum. A new modulated pattern of molecules with long molecular axes (MA) arranged along hex stripes is found. The characteristic features of the hex reconstruction are preserved herein. The assembly with MA across the hex rows leads to an unmodulated structure, where the molecular layer does not recreate the buckled hex phase. The presence of the molecules partly lifts the reconstruction—i.e., the gold hex phase is transformed into a phase. The arrangement of PEN on the gold structure is the same as that of the surrounding molecular domain on the reconstructed surface. The apparent height difference between phases allows for the distinction of the state of the underlying gold surface.

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Section: Resultsmentioning

confidence: 81%

Section: Resultsmentioning

confidence: 99%

“…In the case of phenylacetylene molecules, the hex reconstruction was found to be completely transformed to the

Section: Introductionmentioning

confidence: 99%

phase under the molecular domains [ 11 ].…”

Section: Introductionmentioning

confidence: 99%

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Au(100) as a Template for Pentacene Monolayer

2021

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“…Oligothiophenes are organic semiconductors with good hole conducting properties [7][8][9] and real life application in organic field effect transistors (OFETs). [10][11][12][13] Morphology and electronic properties of α-6T on metal surfaces have been investigated from single molecule adsorption 14 to structural assembly and domain formation of monolayers. [15][16][17][18][19][20][21] The formation of flat monolayers has been found on all metal surfaces.…”

Section: Introductionmentioning

confidence: 99%

From flat to tilted: gradual interfaces in organic thin film growth

et al. 2020

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We investigate domain formation and local morphology of thin films of α-sexithiophene (α-6T) on Au(100) beyond monolayer coverage by combining high resolution scanning tunneling microscopy (STM) experiments with electronic structure theory calculations and computational structure search. We report a layerwise growth of highly-ordered enantiopure domains. For the second and third layer, we show that the molecular orbitals of individual α-6T molecules can be well resolved by STM, providing access to detailed information on the molecular orientation. We find that already in the second layer the molecules abandon the flat adsorption structure of the monolayer and adopt a tilted conformation. Although the observed tilted arrangement resembles the orientation of α-6T in the bulk, the observed morphology does not yet correspond to a well-defined surface of the α-6T bulk structure. A similar behavior is found for the third layer indicating a growth mechanism where the bulk structure is gradually adopted over several layers. arXiv:2003.07771v1 [cond-mat.mtrl-sci]

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Directionality in van der Waals Interactions: The Case of 4-Acetylbiphenyl Adsorbed on Au(111)

2020

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We report on a theoretical study of adsorption of 4acetylbiphenyl molecule and its diffusion properties in the main directions of the Au(111) surface. Structural changes of the molecule, which are induced by adsorption, lead to stronger conjugation of the πsystem. The molecule is adsorbed in a flat configuration on the surface with roughly the same binding energy along the [11̅ 0] and [112̅ ] directions, in good agreement with experiments. Furthermore, the diffusion barriers imply an important directionality of the molecule− surface interactions. This is somewhat surprising because our calculations show that the prevailing interaction is the long-range molecule−surface van der Waals interaction. Despite its weakness, the van der Waals interaction discriminates the preferential adsorption sites as well as imposes a molecular geometry that needs to be considered when rationalizing the diffusion barriers.

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Gold diggers: Altered reconstruction of the gold surface by physisorbed aromatic oligomers

Cited by 4 publications

References 50 publications

Au(100) as a Template for Pentacene Monolayer

Au(100) as a Template for Pentacene Monolayer

From flat to tilted: gradual interfaces in organic thin film growth

Directionality in van der Waals Interactions: The Case of 4-Acetylbiphenyl Adsorbed on Au(111)

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