The Division of Condensed Matter and Materials Theory is looking for a PhD student to work on electronic structure modelling of halide perovskites. Solar cells based on metal halide perovskites show very promising photovoltaic properties, with power conversion efficiencies improving rapidly over the last few years and now exceeding 25%. While most attention has been directed to lead-based perovskites, the focus has recently shifted towards less toxic, lead-free alternatives. The present project focuses on the modeling of complex physical phenomena involving photogenerated charges in lead-free perovskites, such as mixed tin-based or double perovskites. The project will involve the use of advanced electronic structure methods, such as hybrid functionals and molecular dynamics, with the possibility to work with machine learning techniques.
During the PhD project you will work on understanding how complex physical phenomena, such as for instance polaron formation and their interaction with defects and interfaces, affect the efficiency of solar devices. You will engage in collaborations with experimental groups. As part of the project, you will be expected to communicate research results both orally at international conferences and in writing in scientific journals.
More than year
25 - 35, 36 - 60
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