Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)
| Autor: | Witold Piskorz, Nicolas Bachellier, Mats Göthelid, Daria Sostina, Ruslan Ovsyannikov, Kess Marks, Henrik Öström, Erika Giangrisostomi, Dan J. Harding, Tony Hansson, Ambra Guarnaccio, Matthias Muntwiler, Klas Engvall, Fredrik Johansson, Yasmine Sassa, Andreas Lindblad, Andrzej Kotarba, Milad Ghadami Yazdi, Konstantin A. Simonov, Robert Stefanuik |
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| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Materials science
temperature dependent dehydrogenation General Physics and Astronomy chemistry.chemical_element 010402 general chemistry 01 natural sciences Physical Chemistry law.invention chemistry.chemical_compound Adsorption density functional theory (DFT) Ni(111) law vibrational sum-frequency generation spectroscopy (SFG) Desorption 0103 physical sciences Monolayer Dehydrogenation Physical and Theoretical Chemistry Naphthalene Fysikalisk kemi 010304 chemical physics naphthalene Aromaticity X-ray photoelectron spectroscopy (XPS) Scanning tunneling microscopy (STM) 0104 chemical sciences Nickel chemistry Physical chemistry Scanning tunneling microscope |
| Zdroj: | The Journal of chemical physics 150 (2019). doi:10.1063/1.5098533 info:cnr-pdr/source/autori:Marks, Kess; Yazdi, Milad Ghadami; Piskorz, Witold; Simonov, Konstantin; Stefanuik, Robert; Sostina, Daria; Guarnaccio, Ambra; Ovsyannikov, Ruslan; Giangrisostomi, Erika; Sassa, Yasmine; Bachellier, Nicolas; Muntwiler, Matthias; Johansson, Fredrik O. L.; Lindblad, Andreas; Hansson, Tony; Kotarba, Andrzej; Engvall, Klas; Gothelid, Mats; Harding, Dan J.; Ostrom, Henrik/titolo:Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)/doi:10.1063%2F1.5098533/rivista:The Journal of chemical physics/anno:2019/pagina_da:/pagina_a:/intervallo_pagine:/volume:150 |
| DOI: | 10.1063/1.5098533 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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