The structure of water on the () surface of graphite

Sanfelix, Pepa Cabrera; Holloway, S.; Kołasiński, Kurt W.; Darling, George R.

doi:10.1016/s0039-6028(03)00161-4

Cited by 75 publications

(25 citation statements)

References 18 publications

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“…[23][24][25][26][27] Reflection absorption infrared spectroscopy (RAIRS) as well as high resolution electron energy loss spectroscopy (HREELS) measurements revealed that water is physisorbed on graphite at all coverages. [23][24][25]27 This was later supported by density functional theory calculations by Cabrera Sanfelix et al 28,29 Using temperature programmed desorption (TPD), the desorption of water ice multilayers as well as the amorphous to crystalline phase transition have been investigated. Lo ¨fgren et al showed that water does not wet the graphite surface but rather grows in a cluster-like fashion.…”

Section: Introductionmentioning

confidence: 92%

Water desorption from nanostructured graphite surfaces

Clemens

Hellberg

Grönbeck

et al. 2013

Phys. Chem. Chem. Phys.

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Water interaction with nanostructured graphite surfaces is strongly dependent on the surface morphology. In this work, temperature programmed desorption (TPD) in combination with quadrupole mass spectrometry (QMS) has been used to study water ice desorption from a nanostructured graphite surface. This model surface was fabricated by hole-mask colloidal lithography (HCL) along with oxygen plasma etching and consists of a rough carbon surface covered by well defined structures of highly oriented pyrolytic graphite (HOPG). The results are compared with those from pristine HOPG and a rough (oxygen plasma etched) carbon surface without graphite nanostructures. The samples were characterized using scanning electron microscopy (SEM) and atomic force microscopy (AFM). The TPD experiments were conducted for H2O coverages obtained after exposures between 0.2 and 55 langmuir (L) and reveal a complex desorption behaviour. The spectra from the nanostructured surface show additional, coverage dependent desorption peaks. They are assigned to water bound in two-dimensional (2D) and three-dimensional (3D) hydrogen-bonded networks, defect-bound water, and to water intercalated into the graphite structures. The intercalation is more pronounced for the nanostructured graphite surface in comparison to HOPG surfaces because of a higher concentration of intersheet openings. From the TPD spectra, the desorption energies for water bound in 2D and 3D (multilayer) networks were determined to be 0.32 ± 0.06 and 0.41 ± 0.03 eV per molecule, respectively. An upper limit for the desorption energy for defect-bound water was estimated to be 1 eV per molecule.

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Section: Introductionmentioning

confidence: 92%

Water desorption from nanostructured graphite surfaces

Clemens

Hellberg

Grönbeck

et al. 2013

Phys. Chem. Chem. Phys.

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“…A variety of solid surfaces has been considered: silica pores (Vycor glass) [25,26], platinum [27], magnetite [28], zirconia [29], or pure carbon composites (graphite structure) in several geometries, from planar [30][31][32][33][34] to cylindrical [35][36][37]. At the experimental side, many authors have contributed to the study of water at hydrophobic interfaces using a wide variety of techniques such as scanning tunneling microscopy [38], environmental scanning electron microscopy and electron energy loss spectroscopy [39], ultrafast optical Kerr effect spectroscopy [40], atomic force spectroscopy [41], calorimetry [42], neutron diffraction [43][44][45][46] and electron cryomicroscopy [10].…”

Section: Introductionmentioning

confidence: 99%

Structure and Dynamics of Water at Carbon-Based Interfaces

Martı́

Calero

Franzese

2017

Entropy

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Water structure and dynamics are affected by the presence of a nearby interface. Here, first we review recent results by molecular dynamics simulations about the effect of different carbon-based materials, including armchair carbon nanotubes and a variety of graphene sheets-flat and with corrugation-on water structure and dynamics. We discuss the calculations of binding energies, hydrogen bond distributions, water's diffusion coefficients and their relation with surface's geometries at different thermodynamical conditions. Next, we present new results of the crystallization and dynamics of water in a rigid graphene sieve. In particular, we show that the diffusion of water confined between parallel walls depends on the plate distance in a non-monotonic way and is related to the water structuring, crystallization, re-melting and evaporation for decreasing inter-plate distance. Our results could be relevant in those applications where water is in contact with nanostructured carbon materials at ambient or cryogenic temperatures, as in man-made superhydrophobic materials or filtration membranes, or in techniques that take advantage of hydrated graphene interfaces, as in aqueous electron cryomicroscopy for the analysis of proteins adsorbed on graphene.

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“…The interaction of water with bare graphite surfaces, graphene sheets, and carbon nanotubes has been widely studied from both experimental and theoretical sides. [1][2][3][4][5][6][7][8][9][10][11][12][13] On these pure carbon surfaces, it has been demonstrated that water generally adsorbs molecularly, with a rather weak interaction adsorption energy. The reactivity of water has been shown noticeably greater at the edges of graphite planes 14 and the ends of open carbon nanotubes.…”

Section: Introductionmentioning

confidence: 99%

Adsorption of water molecules on partially oxidized graphite surfaces: a molecular dynamics study of the competition between OH and COOH sites,

Picaud

Collignon

Hoang

et al. 2008

Phys. Chem. Chem. Phys.

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In this paper, molecular dynamic simulations are used to study the adsorption of water molecules on partially oxidized graphite surfaces containing COOH and OH sites. More specially, the competition between the OH and COOH sites with respect to water adsorption is characterized at three different temperatures (200, 250 and 300 K). The simulations show a strong preferential clustering of the water molecules around the COOH sites irrespective of the temperature. The present results also show that the OH sites can influence the water adsorption process at high temperature, if their local density on the surface is sufficiently large. In this situation, the dynamics of the adsorption process is shown to depend on the distribution of these OH sites on the surface. These results give insights into the water adsorption mechanisms on oxidized graphite surfaces constituting, for example, black carbons or soot particles emitted by aircraft.

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The structure of water on the () surface of graphite

Cited by 75 publications

References 18 publications

Water desorption from nanostructured graphite surfaces

Water desorption from nanostructured graphite surfaces

Structure and Dynamics of Water at Carbon-Based Interfaces

Adsorption of water molecules on partially oxidized graphite surfaces: a molecular dynamics study of the competition between OH and COOH sites,

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