Project Description

There is an increasing interest in conversion of solar energy to a CO₂-free and transportable fuel. This can be done by photoelectrochemical water splitting using hematite (α- Fe₂O₃) photoanodes. However, the efficiency of this process is hindered by charge carrier recombination and difficulty in achieving n-type conductivity. In this project, the goal is to develop a defect model for iron oxide informed by density functional theory energetics. The aim of this model is to find the optimal dopant that would suppress the formation of undesirable iron vacancies and achieves n-type conductivity at low doping levels.

Collaborators

Dr. Sarah Khalil (Alexandria University)