Water on graphene surfaces.
ABSTRACT In this paper, we summarize the main results obtained in our group about the behavior of water confined inside or close to different graphene surfaces by means of molecular dynamics simulations. These include the inside and outside of carbon nanotubes, and the confinement inside a slit pore or a single graphene sheet. We paid special attention to some thermodynamical (binding energies), structural (hydrogen-bond distributions) and dynamic (infrared spectra) properties, and their comparison to their bulk counterparts.
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ABSTRACT: Vibrational spectroscopy has been used to study the interaction of water with quasi-freestanding graphene grown on Pt(111). A sharp O–H (O–D) vibrational band centered at 457 (337) meV is a direct evidence of the existence of non-H- (non-D-) bonded water molecules at the water/graphene interface. This finding is expected to play a significant role in understanding the behavior of water at hydrophobic surfaces. Such finding is in agreement with results reported for water adsorbed on other hydrophobic surfaces and with the behavior of water confined in carbon nanotubes and between graphene sheets.Carbon 01/2011; 49:5180-5184. · 5.87 Impact Factor