Research team
Expertise
Molecular dynamics simulations, Two dimensional membrane materials, Fluid flow through nanofluidic channel
Computational design of layered graphene oxide (GO) membranes.
Abstract
In recent years layered graphene oxide (GO) membranes showed immense potential to overcome the limitations of conventional membrane materials with superior water flux and intriguing physical/chemical properties. However, its practical applications is still questionable mainly due to its undesirable swelling in water. To address this issue, meticulous understanding on the effect of the oxygen containing functional groups on the performance of layered GO membranes is of utmost importance, which is not available in the existing literature. Intercalation of cations could enhance aqueous stability of layered GO membranes. Inspired by this, I propose that also the generation of hydronium ions inside the interlayer gallery would impart aqueous stability of GO membranes. Hydronium ions could be generated by the dissociation of water molecules using an external electric field. Additionally, by constructing a membrane from a heterostructure of GO and reduced GO nanosheets, a balance between water flux and aqueous stability could be obtained. This could also lead to a Janus membrane with different wettabilities on the same membrane structure which could be effective in the separation of various oil-water mixtures. In this proposal, we will investigate all these aspects using atomistic simulations with extensive collaborations with different experimental and theoretical groups.Researcher(s)
- Promoter: Neyts Erik
- Co-promoter: Milosevic Milorad
- Co-promoter: Peeters Francois
- Fellow: Gogoi Abhijit
Research team(s)
Project type(s)
- Research Project