Logo
EnglishCookie löschen - von nun an wird die Spracheinstellung Ihres Browsers verwendet.
Mulakaluri, Narasimham; Pentcheva, Rossitza; Wieland, Maria; Moritz, Wolfgang; Scheffler, Matthias (2009): Partial dissociation of water on Fe3O4(001): Adsorbate induced charge and orbital order. In: Physical Review Letters, Vol. 103, Nr. 17
Volltext auf 'Open Access LMU' nicht verfügbar.

Abstract

The interaction of water with Fe3O4(001) is studied by density functional theory calculations including an on-site Coulomb term. For isolated molecules, dissociative adsorption is strongly promoted at surface defect sites, while at higher coverages a hydrogen-bonded network forms with alternating molecular and dissociated species. This mixed adsorption mode and a suppression of the (2×2)R45°reconstruction are confirmed by a quantitative low energy electron diffraction analysis. Adsorbate induced electron transfer processes add a new dimension towards understanding the catalytic activity of magnetite(001).