Semiconductors are the most important part of many solar energy devices. This is where the photons are absorbed by exciting electron-holes pairs that can be used to generate electricity or drive chemical reactions that lead to fuel generation. In the search of materials for more efficient, stable and environmentally friendly solar devices, it is instrumental to be able to predict and understand properties of various semiconducting materials to both find new compounds and optimize the ones that are already used.
However, achieving a predictive description of real semiconducting materials is not straightforward and often requires using high-level-of-theory methods and consideration of complex physical phenomena, such as interaction between excited charges or their localization. Also, temperature and surface effects, which are often neglected in materials modelling can affect the computed properties significantly.
In this lecture, I will give an overview of the challenges in achieving predictive models of semiconductors for solar application and some of the solutions developed in my group.
Online via Zoom
05 May, 2021, 15:00
05 May, 2021, 16:00