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

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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.

julkaisussa: Physical Review Materials, Vuosikerta 3, Nro 1, 011601, 17.01.2019, s. 1-6.

Tutkimustuotos: Lehtiartikkelivertaisarvioitu

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Scarbath-Evers, Laura Katharina ; Todorović, Milica ; Golze, Dorothea ; Hammer, René ; Widdra, Wolf ; Sebastiani, Daniel ; Rinke, Patrick. / Gold diggers : Altered reconstruction of the gold surface by physisorbed aromatic oligomers. Julkaisussa: Physical Review Materials. 2019 ; Vuosikerta 3, Nro 1. Sivut 1-6.

Bibtex - Lataa

@article{f94a603d35b94a998191e535e4d5777d,
title = "Gold diggers: Altered reconstruction of the gold surface by physisorbed aromatic oligomers",
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.",
author = "Scarbath-Evers, {Laura Katharina} and Milica Todorović and Dorothea Golze and Ren{\'e} Hammer and Wolf Widdra and Daniel Sebastiani and Patrick Rinke",
note = "| openaire: EC/H2020/730897/EU//HPC-EUROPA3",
year = "2019",
month = "1",
day = "17",
doi = "10.1103/PhysRevMaterials.3.011601",
language = "English",
volume = "3",
pages = "1--6",
journal = "Physical Review Materials",
issn = "2475-9953",
publisher = "American Physical Society",
number = "1",

}

RIS - Lataa

TY - JOUR

T1 - Gold diggers

T2 - Altered reconstruction of the gold surface by physisorbed aromatic oligomers

AU - Scarbath-Evers, Laura Katharina

AU - Todorović, Milica

AU - Golze, Dorothea

AU - Hammer, René

AU - Widdra, Wolf

AU - Sebastiani, Daniel

AU - Rinke, Patrick

N1 - | openaire: EC/H2020/730897/EU//HPC-EUROPA3

PY - 2019/1/17

Y1 - 2019/1/17

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=85060567039&partnerID=8YFLogxK

U2 - 10.1103/PhysRevMaterials.3.011601

DO - 10.1103/PhysRevMaterials.3.011601

M3 - Article

VL - 3

SP - 1

EP - 6

JO - Physical Review Materials

JF - Physical Review Materials

SN - 2475-9953

IS - 1

M1 - 011601

ER -

ID: 31971325