Solid/Water Interfaces (SH2O)

Solid/Water Interfaces (SH2O)
Lead PIsPaul Fenter & Giulia Galli
Atomistic structure of building blocks (BB)Liquid water structures “known”; bulk solids known , however defects to be determined
Structure of interface to be determined
BB properties to validateReconstruction and surfaces exposed to water; defect structure of bulk solid
Methods & techniques to validate for BBTheoretical accuracy → Approximations chosen for S(k) & type of DFT
Numerical precision.
Structural properties of assembled BB blocksInterfacial XRD [S(k)]interf
Properties of assembled BB to validateSurface diffusivity
ExperimentalistPaul Fenter & John Mitchell