Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)
Journal article, 2019

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 H2 gas, as well as the formation of carbidic and graphitic surface carbon.

Author

Kess Marks

Stockholm University

Milad Ghadami Yazdi

Royal Institute of Technology (KTH)

Witold Piskorz

Jagiellonian University in Kraków

Konstantin Simonov

Uppsala University

Robert Stefanuik

Uppsala University

Daria Sostina

Paul Scherrer Institut

Ambra Guarnaccio

Consiglo Nazionale Delle Richerche

Ruslan Ovsyannikov

Helmholtz-Zentrum Berlin für Materialien und Energie (HZB)

Erika Giangrisostomi

Helmholtz-Zentrum Berlin für Materialien und Energie (HZB)

Yasmine Sassa

Chalmers, Physics, Condensed Matter Physics

Nicolas Bachellier

Paul Scherrer Institut

Matthias Muntwiler

Paul Scherrer Institut

Fredrik O.L. Johansson

Uppsala University

Andreas Lindblad

Uppsala University

Tony Hansson

Stockholm University

Andrzej Kotarba

Jagiellonian University in Kraków

Klas Engvall

Royal Institute of Technology (KTH)

M. Gothelid

Royal Institute of Technology (KTH)

Dan J. Harding

Royal Institute of Technology (KTH)

Henrik Öström

Stockholm University

Journal of Chemical Physics

0021-9606 (ISSN) 1089-7690 (eISSN)

Vol. 150 24 244704

Subject Categories

Inorganic Chemistry

Materials Chemistry

Condensed Matter Physics

DOI

10.1063/1.5098533

More information

Latest update

7/17/2019