Open this publication in new window or tab >>Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden..
Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
CNR, ISM, Tito Scalo Unit, I-85050 Potenza, Italy..
Helmholtz Zentrum Berlin Mat & Energie, Inst Methods & Instrumentat Synchrotron Radiat Re, ISRR, D-12489 Berlin, Germany..
Helmholtz Zentrum Berlin Mat & Energie, Inst Methods & Instrumentat Synchrotron Radiat Re, ISRR, D-12489 Berlin, Germany..
Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden..
Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden..
Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden..
Stockholm Univ, Fysikum, Dept Phys, S-10691 Stockholm, Sweden..
Jagiellonian Univ Krakow, Fac Chem, Gronostajowa 2, PL-31387 Krakow, Poland..
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Process Technology.
KTH, School of Engineering Sciences (SCI), Applied Physics, Materials and Nanophysics.
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering.
Stockholm Univ, Fysikum, Dept Phys, S-10691 Stockholm, 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
National Category
Materials Chemistry
Identifiers
urn:nbn:se:kth:diva-255435 (URN)10.1063/1.5098533 (DOI)000473303200040 ()31255092 (PubMedID)2-s2.0-85068220749 (Scopus ID)
Note
QC 20190820
2019-08-202019-08-202024-03-15Bibliographically approved