Solid/Water Interfaces
Principal Investigators: Maria Chan, Giulia Galli, Francois Gygi, Monica Olvera de la Cruz, Paul Fenter (experimentalist).
Atomistic Structure
- Liquid water and salt solutions
- Bulk solids
- Liquid-solid interfaces
Target properties
- Interfacial XRD structure factor
- Diffusive ion distribution at interfaces
Approximations and models to be validated
- Interatomic interactions (including type of DFT and interatomic potentials)
- Structure factor model
- Electrostatic model
- Numerical approximations
