Dynamics of Ethene Adsorption on Clean and C-Contaminated Cu(410)

Abstract

As recently established (J. Am. Chem. Soc. 2008, 130, 12552), ethene adsorption on Cu(410) occurs both molecularly and dissociatively, the latter resulting in carbon contamination of the Surface. Here we report on the coverage-dependent dynamics of C(2)H(4) adsorption on clean and carbon-contaminated Cu(410). For the bare surface, the initial sticking probability has a very weak dependence on kinetic energy and is almost independent of angle of incidence. Molecular adsorption is in both cases precursor-mediated and nonactivated. Ethene dissociation takes place during adsorption as well as upon annealing. Both paths proceed via a molecular precursor. The former is translationally activated, while the latter depends strongly on the heating rate. The presence of preadsorbed carbon, resulting from previous uptakes, affects both the sticking probability and the attained saturation coverage. The latter quantity is shown to be a sensitive probe of carbon precoverage. A scheme of the complicated potential energy surface of this system is derived and discussed

Theoretical study of adsorption and dehydrogenation of C2H4 on Cu(410)

“…6(b). This conclusion is different from the previous assumption that ethylene dehydrogenate on Cu(410) should be through the long-bridge state (σ-lb-ss) [16,17]. Notice that the unimportance of the long-bridge intermediate state is consistent with the extremely low barrier from this state to the more DOI:10.1063/1674-0068/31/cjcp1805120 c ⃝2018 Chinese Physical Society stable π-s-v configuration.…”

“…Recently, the adsorption of ethylene on Cu(410) has been intensively investigated [14][15][16]. At low temperature and low coverage, ethylene binds with the Cu(410) surface with a π-bonded configuration.…”

“…At low temperature and low coverage, ethylene binds with the Cu(410) surface with a π-bonded configuration. At the same time, a di-σ-bonded adsorption configuration was suggested based on HREELS spectra at higher surface temperature and/or higher surface coverage [14][15][16]. The di-σ-bonded ethylene was also proposed to be the precursor of the dehydrogenation reaction [15,16].…”

“…At the same time, a di-σ-bonded adsorption configuration was suggested based on HREELS spectra at higher surface temperature and/or higher surface coverage [14][15][16]. The di-σ-bonded ethylene was also proposed to be the precursor of the dehydrogenation reaction [15,16]. XPS and HREELS experiments suggested that the reactive site of dehydrogenation is located at step edges [15].…”

Poisoning and non-poisoning oxygen on Cu(410)

“…It is known from previous work that π-bonded ethene adsorbs reversibly at low Miller index Cu surfaces [6][7][8]. However, recent studies have shown [9][10][11] that on Cu(410) not only di-σ bonding, but also complete dehydrogenation occurs at low crystal temperature (T ). The carbon resulting from dissociation decorates the step edges and deactivates them.…”