Structure of water nanoconfined between hydrophobic surfaces.
We report the results of a series of molecular-dynamics simulations of liquid water confined between two graphite plates with separations ranging from 7 to 15 A. Energies and free energies are provided, indicating also the corresponding stability density span of confined water phases. The structure of the different liquid layers is also discussed for all the considered systems. In particular, we studied atomic density profiles, two-dimensional radial distribution functions, hydrogen bonding, and angular orientations near the carbon plates.
Gordillo
M C
MC
Departamento de Ciencias Ambientales, Facultad de Ciencias Experimentales, Universidad Pablo de Olavide, Carretera de Utrera Km 1, 41013 Sevilla, Spain.
Nagy
G
G
Martí
J
J