A molecular perspective of water at metal interfaces

Carrasco, Javier; Hodgson, A.; Michaelides, Angelos

doi:10.1038/nmat3354

Cited by 591 publications

(695 citation statements)

References 91 publications

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“…This estimate was used along with the adsorption isotherms to estimate the water coverage (θ H 2 O ) at the activity maximum (Table 1). At each temperature, the maximum activity occurs at about the same θ H 2 O (6-9 molecules nm -2 ), which corresponds to roughly one monolayer of water on the support 43 . This range is illustrated by the box outline in Fig.…”

Section: Resultsmentioning

confidence: 99%

Controlling activity and selectivity using water in the Au-catalysed preferential oxidation of CO in H2

et al. 2016

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Section: Resultsmentioning

confidence: 99%

Controlling activity and selectivity using water in the Au-catalysed preferential oxidation of CO in H2

et al. 2016

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“…Water dissociation on the metal surface can be considered as a stepwise process [29][30][31][32][33] :…”

Section: Submitted Tomentioning

confidence: 99%

“…Cu(111) was used for the simulation, since higher density and faster growth of BNNF have been observed on Cu(111) than on all other planes. [26][27][28] The details of the DFT calculations are provided in the Supporting Information.Water dissociation on the metal surface can be considered as a stepwise process [29][30][31][32][33] :H2O + *  H2O *(1)where the asterisk (*) denotes surface, and M * denotes adsorbed species M (M = H2O, OH, O, H). DFT calculations demonstrate that H2O* (Eq.…”

mentioning

confidence: 99%

Atomically Thin Hexagonal Boron Nitride Nanofilm for Cu Protection: The Importance of Film Perfection

et al. 2016

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Coatings are routinely applied to protect metallic surfaces, and polymer coatings have been conventionally used where the thickness is not a dramatic issue.[1] For the next generation of nanoelectronics, nanoscale coatings are needed to accommo-date the compact design. 2D materials that can be fabricated into atomically thin film as a coating over the substrate can be a great choice. Graphene has recently been considered for this purpose, since it is robust and flexible, and the hexagonal hon-eycomb structure can effectively block any species, including helium.[2] Mixed results, however, have been reported. [3][4][5][6][7] Good short-term anticorrosion performance was observed, [3][4][5] but over time, accelerated Cu oxidation and corrosion in air were found in the presence of graphene compared to the bare Cu substrate. [8,9] This acceleration is likely due to the high con-ductivity that assists electron transfer in the two-component galvanic cell between Cu and graphene, facilitating oxygen reduction and Cu oxidation around the defects in the long run. Disciplines Engineering | Physical Sciences and Mathematics Publication DetailsKhan, M. Haque., Jamali, S. S., Lyalin, A., Molino, P. J., Jiang, L., Liu, H. Kun., Taketsugu Coatings are routinely applied to protect metallic surfaces, and polymer coatings have been conventionally used where the thickness is not a dramatic issue. [1] For the next generation of nano-electronics, nanoscale coatings are needed to accommodate the compact design. Twodimensional (2D) materials that can be fabricated into atomically thin film as a coating over the substrate can be a great choice. Graphene has recently been considered for this purpose, Submitted to 2 since it is robust and flexible, and the hexagonal honeycomb structure can effectively block any species, including helium. [2] Mixed results, however, have been reported. [3][4][5][6][7] Good shortterm anti-corrosion performance was observed, [3][4][5] but over time, accelerated Cu oxidation and corrosion in air were found in the presence of graphene compared to the bare Cu substrate. [8,9] This acceleration is likely due to the high conductivity that assists electron transfer in the two-component galvanic cell between Cu and graphene, facilitating oxygen reduction and Cu oxidation around the defects in the long run.Hexagonal boron nitride could, therefore, be considered for protection due to its insulating nature, [10][11][12][13] impermeability to small molecules (pore diameter 1.2 Å in the hexagon [14] ), robustness [15] , and transparency. [16] Moreover, it has excellent chemical stability in most aquatic environments. [17,18] Hexagonal boron nitride film (BNNF) (7−8 nm thick, ~20 layers) has been reported to slow down the corrosion of an underlying Cu substrate in a very dilute NaCl solution (0.1 M) for a few minutes. [19] BNNF (5 nm, i.e. ~15 layers, grown on Ni and then transferred to Cu) also improved the oxidation resistance of Cu substrate at 500 °C for 30 minutes. [20] As was learned from the case of graphe...

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“…Due to the relative strength and particular directionality of interactions between water molecules, which are delicately balanced against molecule-surface interactions, the structures of water monolayers on various surfaces exhibit surprising diversity. This has been recently demonstrated in scanning tunnelling microscopy (STM) studies [5][6][7][8] , which allow direct visualization of hydrogen bonding networks. The most detailed insight into water adsorption has been achieved for single-crystal metal surfaces, where the structure of water layers is determined mainly by the dimensions of the surface unit cell and the strength of metal-oxygen bonding 6 .…”

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confidence: 97%

Water clustering on nanostructured iron oxide films

et al. 2014

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The adhesion of water to solid surfaces is characterized by the tendency to balance competing molecule-molecule and molecule-surface interactions. Hydroxyl groups form strong hydrogen bonds to water molecules and are known to substantially influence the wetting behaviour of oxide surfaces, but it is not well-understood how these hydroxyl groups and their distribution on a surface affect the molecular-scale structure at the interface. Here we report a study of water clustering on a moiré-structured iron oxide thin film with a controlled density of hydroxyl groups. While large amorphous monolayer islands form on the bare film, the hydroxylated iron oxide film acts as a hydrophilic nanotemplate, causing the formation of a regular array of ice-like hexameric nanoclusters. The formation of this ordered phase is localized at the nanometre scale; with increasing water coverage, ordered and amorphous water are found to coexist at adjacent hydroxylated and hydroxyl-free domains of the moiré structure.

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A molecular perspective of water at metal interfaces

Cited by 591 publications

References 91 publications

Controlling activity and selectivity using water in the Au-catalysed preferential oxidation of CO in H2

Controlling activity and selectivity using water in the Au-catalysed preferential oxidation of CO in H2

Atomically Thin Hexagonal Boron Nitride Nanofilm for Cu Protection: The Importance of Film Perfection

Water clustering on nanostructured iron oxide films

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