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In the present work the dissociation of the trichloroethene on the PdCu(110) surface has been investigated by applying ab initio periodic density functional theory. The reaction steps, intermediates and transition states of this reaction have been identified. Two different mechanisms have been studied, starting from the most stable adsorption modes of trichloroethene (di-σ structures). Regarding the...
The adsorption and dissociation of trichloroethene (TCE) on PdCu(110) have been investigated under the view of high resolution electron energy loss spectroscopy (HREELS) and first-principle quantum chemical calculations.At 180 K and after an exposure of 10 L, TCE is physisorbed on the surface. The HREELS spectrum is similar to the gas-phase one, measured by infrared spectroscopy. There are small shifts...
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