14CSER008 - Simulation of structure and charge dynamics in organometal halide perovskites: break-through materials ...
| Project number | 14CSER008 |
| Project title | Simulation of structure and charge dynamics in organometal halide perovskites: break-through materials for solar cells |
| Applicant(s) | Dr. F.C. Grozema, Dr. T.J. Savenije |
| Abstract | The aim of the work proposed here is to come to a detailed understanding of the opto-electronic properties of organometal halide perovskites (OMHPs) using state-of-the-art electronic structure methods. OMHPs are promising materials for low-cost photovoltaic cells. Power conversion efficiencies well over 15% have been reported and only a single material of this class has been considered extensively for application in solar cells. The high efficiency of the solar cells is a result of a very efficient formation of free charges upon absorption of light, combined with very inefficient recombination. It is believed that there is a strong relation between the extraordinary properties of OMPHs and the structural flexibility. In this work we will use density functional tight binding calculations that make it possible to study the structural dynamics in large OMPH model system, while keeping a relatively detailed description of the electronic structure. |
| Project budget | k€ 271 (includes 1 PhD student and material budget) |
| Duration | 2015 - 2018 |