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

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

doi:10.1103/PhysRevMaterials.3.011601

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

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

Research output: Contribution to journal › Article › Scientific › peer-review

2 Citations (Scopus)

92 Downloads (Pure)

Abstract

We present electronic structure theory calculations and scanning tunneling microscopy experiments for the adsorption of α-sexithiophene on the 100 surface of gold. Our density-functional theory calculations show that α-sexithiophene prefers to adjust an energetically unfavorable adsorption site by modifying the gold surface over seeking out more favorable adsorption sites. Molecular adsorption results in a complex charge transfer pattern, with more charge transfer in more stable sites. Our results challenge the current paradigm that weakly interacting (e.g., physisorbed) molecules perceive metal surfaces as rigid templates with preordained adsorption sites.

Original language	English
Article number	011601
Pages (from-to)	1-6
Journal	Physical Review Materials
Volume	3
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevMaterials.3.011601
Publication status	Published - 17 Jan 2019
MoE publication type	A1 Journal article-refereed

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10.1103/PhysRevMaterials.3.011601

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Scarbath-Evers, L. K., Todorović, M., Golze, D., Hammer, R., Widdra, W., Sebastiani, D., & Rinke, P. (2019). Gold diggers: Altered reconstruction of the gold surface by physisorbed aromatic oligomers. Physical Review Materials, 3(1), 1-6. [011601]. https://doi.org/10.1103/PhysRevMaterials.3.011601

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abstract = "We present electronic structure theory calculations and scanning tunneling microscopy experiments for the adsorption of α-sexithiophene on the 100 surface of gold. Our density-functional theory calculations show that α-sexithiophene prefers to adjust an energetically unfavorable adsorption site by modifying the gold surface over seeking out more favorable adsorption sites. Molecular adsorption results in a complex charge transfer pattern, with more charge transfer in more stable sites. Our results challenge the current paradigm that weakly interacting (e.g., physisorbed) molecules perceive metal surfaces as rigid templates with preordained adsorption sites.",

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Gold diggers : Altered reconstruction of the gold surface by physisorbed aromatic oligomers. / Scarbath-Evers, Laura Katharina; Todorović, Milica ; Golze, Dorothea; Hammer, René; Widdra, Wolf; Sebastiani, Daniel; Rinke, Patrick.

In: Physical Review Materials, Vol. 3, No. 1, 011601, 17.01.2019, p. 1-6.

Research output: Contribution to journal › Article › Scientific › peer-review

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AU - Scarbath-Evers, Laura Katharina

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AU - Widdra, Wolf

AU - Sebastiani, Daniel

AU - Rinke, Patrick

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AB - We present electronic structure theory calculations and scanning tunneling microscopy experiments for the adsorption of α-sexithiophene on the 100 surface of gold. Our density-functional theory calculations show that α-sexithiophene prefers to adjust an energetically unfavorable adsorption site by modifying the gold surface over seeking out more favorable adsorption sites. Molecular adsorption results in a complex charge transfer pattern, with more charge transfer in more stable sites. Our results challenge the current paradigm that weakly interacting (e.g., physisorbed) molecules perceive metal surfaces as rigid templates with preordained adsorption sites.

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