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Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)
Stockholm Univ, Fysikum, Dept Phys, S-10691 Stockholm, Sweden.ORCID iD: 0000-0002-1805-4993
KTH Royal Inst Technol, Mat & Nanophys, SCI, S-16440 Kista, Sweden.
Jagiellonian Univ Krakow, Fac Chem, Gronostajowa 2, PL-31387 Krakow, Poland.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
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2019 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 150, no 24, article id 244704Article in journal (Refereed) Published
Abstract [en]

The temperature dependent dehydrogenation of naphthalene on Ni(111) has been investigated using vibrational sum-frequency generation spectroscopy, X-ray photoelectron spectroscopy, scanning tunneling microscopy, and density functional theory with the aim of discerning the reaction mechanism and the intermediates on the surface. At 110 K, multiple layers of naphthalene adsorb on Ni(111); the first layer is a flat lying chemisorbed monolayer, whereas the next layer(s) consist of physisorbed naphthalene. The aromaticity of the carbon rings in the first layer is reduced due to bonding to the surface Ni-atoms. Heating at 200 K causes desorption of the multilayers. At 360 K, the chemisorbed naphthalene monolayer starts dehydrogenating and the geometry of the molecules changes as the dehydrogenated carbon atoms coordinate to the nickel surface; thus, the molecule tilts with respect to the surface, recovering some of its original aromaticity. This effect peaks at 400 K and coincides with hydrogen desorption. Increasing the temperature leads to further dehydrogenation and production of H-2 gas, as well as the formation of carbidic and graphitic surface carbon. Published under license by AIP Publishing.

Place, publisher, year, edition, pages
AMER INST PHYSICS , 2019. Vol. 150, no 24, article id 244704
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-390812DOI: 10.1063/1.5098533ISI: 000473303200040PubMedID: 31255092OAI: oai:DiVA.org:uu-390812DiVA, id: diva2:1343506
Funder
Swedish Research Council, 2015-05242Swedish Foundation for Strategic Research Swedish Energy Agency, 34721-2Available from: 2019-08-16 Created: 2019-08-16 Last updated: 2019-08-16Bibliographically approved

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Simonov, KonstantinStefanuik, RobertJohansson, Fredrik O. L.Lindblad, Andreas

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