Isotope effect in water desorption from Ru(001)

Water adsorption at metal surfaces: A first-principles study of thep(3×3)R30°Materzanini1, Tantardini2, Lindan3 et al. 2005Phys. Rev. B623291View full textAdd to dashboardCite

“…5,6 In particular, for H 2 O/Ru͑0001͒, the possible structures water can form, from adsorbed isolated molecules to small clusters, periodic bilayers or ice multilayers, have been extensively studied since the late 1970s through a wide variety of experimental techniques, as electron-stimulated ion angular distribution ͑ESDIAD 7,8 ͒, low-energy electron diffraction ͑LEED͒ 8-10 and thermal desorption spectroscopy ͑TDS͒ 7-9,11 measurements, IR spectroscopy, 12 electron energy loss spectroscopy ͑EELS 1,9 ͒, x-ray photoelectron spectroscopy ͑XPS͒, 13 and UV photoelectron spectroscopy ͑UPS͒. 9,13 The basic findings were: ͑i͒ only small traces of dissociation as detected through TDS measurements; 7 ͑ii͒ three distinct water TDS peaks: [7][8][9]11 one at low temperature ͑150-160 K͒ attributed to ice multilayers, and two at higher temperatures ͑170-180 K , 210-220 K͒ attributed to water aggregates ͑periodic bilayers, clusters͒ in more direct contact with the metal surface; 13 ͑iii͒ an ordered ͑ ͱ 3 ϫ ͱ 3͒R30°LEED pattern at intermediate coverages; [8][9][10] ͑iv͒ different ESDIAD patterns, 7,8 ranging from halo-like patterns ͑indicative of isolated molecules͒ at low temperatures and coverages, via random patterns at multilayer temperatures, to normal cone emission and hexagonal patterns ͑indicative of ordered superstructures and clusters͒ in the temperature range of the two highest TDS peaks; ͑v͒ marked differences in the EELS spectra 1,9 between low-temperature ͑95 K͒ and highertemperature ͑165 K͒ adsorption, indicating that the properties of the first two layers are distinct from ice multilayers; and ͑vi͒ an isotope effect in H 2 O/D 2 O desorption. 11 From this amount of experimental information at hand until 1982, the system appeared to be well understood, and a widely accepted model for water adsorption on Ru͑0001͒ was proposed.…”

“…9,13 The basic findings were: ͑i͒ only small traces of dissociation as detected through TDS measurements; 7 ͑ii͒ three distinct water TDS peaks: [7][8][9]11 one at low temperature ͑150-160 K͒ attributed to ice multilayers, and two at higher temperatures ͑170-180 K , 210-220 K͒ attributed to water aggregates ͑periodic bilayers, clusters͒ in more direct contact with the metal surface; 13 ͑iii͒ an ordered ͑ ͱ 3 ϫ ͱ 3͒R30°LEED pattern at intermediate coverages; [8][9][10] ͑iv͒ different ESDIAD patterns, 7,8 ranging from halo-like patterns ͑indicative of isolated molecules͒ at low temperatures and coverages, via random patterns at multilayer temperatures, to normal cone emission and hexagonal patterns ͑indicative of ordered superstructures and clusters͒ in the temperature range of the two highest TDS peaks; ͑v͒ marked differences in the EELS spectra 1,9 between low-temperature ͑95 K͒ and highertemperature ͑165 K͒ adsorption, indicating that the properties of the first two layers are distinct from ice multilayers; and ͑vi͒ an isotope effect in H 2 O/D 2 O desorption. 11 From this amount of experimental information at hand until 1982, the system appeared to be well understood, and a widely accepted model for water adsorption on Ru͑0001͒ was proposed. 8 This model was based on the close match between the ͑0001͒ lattice of the Ru crystal and the hexagonal phase of ice ͓ice I h ͑Ref.…”

Adsorption of Water on Two-Dimensional Crystals: Water/Graphene and Water/Silicatene

“…Therefore, that surface is hydrophobic using that term basically as an equivalent to sub-monolayer zero-order kinetics. As known from prior works [25], the Ru support is hydrophilic, i.e., this system may be called non-transparent. (Hydrophobic graphene adsorbed on hydrophilic substrate.)…”

“…As known from prior works [25], the Ru support is hydrophilic, i.e., this system may be called non-transparent. (Hydrophobic graphene adsorbed on hydrophilic substrate.)…”

Chemistry at surfaces: from ab initio structures to quantum dynamics

“…In addition, the great abundance of water, ice and water-covered solid surfaces in the biosphere explains the attention devoted to the study of water adsorption on single crystal surfaces by means of modern surface science techniques [31,32]. In particular, for H 2 O/Ru(0001), the possible structures water can form, from adsorbed isolated molecules to small clusters, periodic bilayers or ice multilayers were extensively studied during 20 years since the late 1970s through a wide variety of experimental techniques [27,[33][34][35][36][37][38][39]. The basic findings were: (i) three distinct water peaks in the thermal desorption spectra (TDS), one at low temperature (150 ∼ 160 K) attributed to ice multilayers, and two at higher temperatures (170 ∼ 180 K, 210 ∼ 220 K) attributed to water aggregates (periodic bilayers, clusters) in more direct contact with the metal surface; (ii) an ordered (…”