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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..
KTH, School of Engineering Sciences (SCI), Applied Physics, Materials and Nanophysics.
Jagiellonian Univ Krakow, Fac Chem, Gronostajowa 2, PL-31387 Krakow, Poland..
Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden..
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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. 

Place, publisher, year, edition, pages
AMER INST PHYSICS , 2019. Vol. 150, no 24, article id 244704
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Materials Chemistry
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URN: urn:nbn:se:kth:diva-255435DOI: 10.1063/1.5098533ISI: 000473303200040PubMedID: 31255092Scopus ID: 2-s2.0-85068220749OAI: oai:DiVA.org:kth-255435DiVA, id: diva2:1344227
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QC 20190820

Available from: 2019-08-20 Created: 2019-08-20 Last updated: 2019-08-20Bibliographically approved

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Ghadami Yazdi, MiladEngvall, KlasGöthelid, Mats

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