Eric Osei-Agyemang, Jean-François Paul, Romain Lucas, Sylvie Foucaud, Sylvain Cristol. Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H2, O2, and H2O Molecules on Bare and Oxygen Modified ZrC (100) Surface.
Journal of Physical Chemistry C, American Chemical Society, 2014, 118 (24), pp.12952-12961.
⟨10.1021/jp503208n⟩.
⟨hal-01078740⟩