Water structuring and dynamics on graphene oxide

Rajasekaran M

Graphene oxide is a material that has dual hydrophilic and hydrophobic characteristics. Hydrophilicity is imparted by partially reducing a fully oxidized graphene surface giving rise to a surface that is hydrophilic in nature. We are currently exploring the structure of water on graphene oxide surfaces using a combination of Monte Carlo and molecular dynamics simulations. The broad goals of this project are to assess the proton transport characteristics of these graphene oxide materials as well as study dynamics of water on porous graphene oxide systems for rapid water purification technologies.