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  • 1.
    Marks, Kess
    et al.
    Stockholm University, Faculty of Science, Department of Physics.
    Besharat, Zahra
    Soldemo, Markus
    Önsten, Anneli
    Weissenrieder, Jonas
    Halldin Stenlid, Joakim
    Stockholm University, Faculty of Science, Department of Physics.
    Öström, Henrik
    Stockholm University, Faculty of Science, Department of Physics.
    Göthelid, Mats
    Adsorption and decoposition of ethanol on Cu2O(111) and (100)2019In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 123, no 33, p. 20384-20392Article in journal (Refereed)
    Abstract [en]

    Ethanol dehydrogenation on metal oxides such as Cu2O is an important reaction for the production of renewable energy by fuel cells both via the production of H2 fuel and applied in direct alcohol fuel cells. To better understand this reaction we studied the adsorption, dissociation and desorption of ethanol on Cu2O(111) and (100) surfaces using high-resolution photoelectron spectroscopy (PES), vibrational sum frequency generation spectroscopy (SFG), and temperature programmed desorption (TPD) accompanied by density functional theory (DFT) calculations. On Cu2O(100) the first layer consists primarily of dissociatively adsorbed ethoxy. Second and third layers of ethanol physisorb at low temperature and desorb below 200 K. On the Cu2O(111) surface, adsorption is mixed as ethoxy, ethanol and the products following C-C cleavage, CHx and OCHx, are found in the first layer. Upon heating, products following both C-C and C-O bond breaking are observed on both surfaces and continued heating accentuates the molecular cracking. C-O cleavage occurs more on the (100) surface, whereas on the Cu2O(111) C-C cleavage dominates and occurs at lower temperatures than on the (100) surface. The increased ability of Cu2O(111) to crack ethanol is explained by the varied surface structure including both surface oxygen, electron rich O-vacancies and Cu.

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