Water confined between two layers with separation of a few Angstrom forms layered two- dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between graphene layers which is non-polar and non-ferroelectric. Two layers of water are found to crystallize into a square lattice close to the experimental found AA-stacking [G. Algara- Siller et al. Nature 519, 443445 (2015)]. Each layer has a net dipole moment which are in opposite direction. Bilayer ice is also non-polar and non-ferroelectric. For three layer ice we found that each layer has a crystal structure similar to monolayer ice.
@article{arxiv.1509.08242,
title = {AA-stacked bilayer square ice between graphene layers?},
author = {S. Fernandez Mario and M. Neek-Amal and F. M. Peeters},
journal= {arXiv preprint arXiv:1509.08242},
year = {2015}
}