title: 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.
authors.affiliation: Departamento de Sistemas Físicos, Químicos y Naturales, Facultad de Ciencias Experimentales, Universidad Pablo de Olavide, Carretera de Utrera, km 1, E-41013 Sevilla, Spain. cgorbar@upo.es
authors.forename: M C
authors.initials: MC
authors.lastname: Gordillo
authors.forename: J
authors.initials: J
authors.lastname: Martí
mesh_terms: D003198:Computer Simulation; D004058:Diffusion; D006108:Graphite / Q000737:chemistry*; D008956:Models, Chemical; D037742:Nanotubes, Carbon / Q000737:chemistry*; D044367:Phase Transition; D016062:Porosity; D012996:Solutions / Q000737:chemistry*; D013499:Surface Properties; D014867:Water / Q000737:chemistry*
chemical_list: D037742:Nanotubes, Carbon; D012996:Solutions; D014867:Water; D006108:Graphite