Stability of functionalized platform molecules on Au(111)

Jasper-Tönnies, Torben; Poltavskyi, Igor; Ulrich, Sandra; Moje, Tobias; Tkatchenko, Alexandre; Herges, Rainer; Berndt, Richard

doi:10.1063/1.5059344

Reference : Stability of functionalized platform molecules on Au(111)


	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	Focus Areas :	Physics and Materials Science
	To cite this reference:	http://hdl.handle.net/10993/38103

Title :	Stability of functionalized platform molecules on Au(111)
Language :	English
Author, co-author :	Jasper-Tönnies, Torben []
	Poltavskyi, Igor [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
	Ulrich, Sandra []
	Moje, Tobias []
	Tkatchenko, Alexandre [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
	Herges, Rainer []
	Berndt, Richard []
Publication date :	27-Dec-2018
Journal title :	Journal of Chemical Physics
Publisher :	American Institute of Physics
Volume :	149
Pages :	8
Peer reviewed :	Yes (verified by ORBi^lu)
Audience :	International
ISSN :	0021-9606
e-ISSN :	1089-7690
City :	New York
Country :	NY
Abstract :	[en] Trioxatriangulenium (TOTA) platform molecules were functionalized with methyl, ethyl, ethynyl, propynyl, and hydrogen and sublimated onto Au(111) surfaces. Low-temperature scanning tunneling microscopy data reveal that >99% of ethyl-TOTA and methyl-TOTA remain intact, whereas 60% of H-TOTA and >99% of propynyl-TOTA and ethynyl-TOTA decompose. The observed tendency toward fragmentation on Au(111) is opposite to the sequence of gas-phase stabilities of the molecules. Although Au(111) is the noblest of all metal surfaces, the binding energies of the decomposition products to Au(111) destabilize the functionalized platforms by 2 to 3.9 eV (190–370 kJ/mol) and even render some of them unstable as revealed by density functional theory calculations. Van der Waals forces are important, as they drive the adsorption of the platform molecules.
Target :	Researchers ; Professionals ; Students ; General public ; Others
Permalink :	http://hdl.handle.net/10993/38103
DOI :	10.1063/1.5059344
FnR project :	FnR ; FNR11360857 > Alexandre Tkatchenko > QUANTION > Quantum Ion Tunneling and Scattering in Layered Nanomaterials > 01/03/2017 > 28/02/2020 > 2016

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