Line manager
Prof. Aron Walsh, Department of Materials, Imperial College London, United Kingdom
Research Interests
- Data-driven materials design - Lattice polarization for the next-generation photovoltaics - Surface defects on GaN-based semiconductors - Defect physics in semiconductors - Stability of nano-materials in wet synthesis, collaborating with experts in atom-probe tomography - Stability of ZnO surface structures under water environment - Polarization of pyroelectric materials - Environment-dependent nanomorphology of metal particles - Electronic structure of semiconductor for solar cell devices - Surface science of transition metal surfaces
Methods
Computationl Softwares:
Vienna Ab initio Simulation Package (VASP) DMol3 General Utility Lattice Program (GULP)
Methods:
Density-functional theory (DFT) and beyond Ab initio atomistic thermodynamics Implicit solvation model Defect chemistry Gibbs-Wulff theorem
Programming Languages:
Python Shell
