Developing perovskite materials for energy-efficient solar cells with the support of EGI Services

EGI has recently signed a new Service Level Agreement to support the Perovskite Use Case in EGI-ACE.

The use case applies molecular dynamics (MD) simulations to halide perovskite materials, interfaces and defects for energy-efficient solar cells. In fact, despite these materials looking promising for solar cells, they degrade fast. The research performed by the use case will lead to a more clear understanding of the stability and the degradation mechanisms in these materials. Ion migration will be the main focus of MD simulations.

LAMMPS software package will be used to run the MD simulations. Moreover, density functional theory (DFT) and machine learning (ML) with SIESTA code and artificial neural networks using the TensorFlow library with Keras frontend will serve to predict the electronic properties of hybrid perovskite materials and interfaces.

The work will be done in line with the PERLA-PV project, which objectives are to:

• develop efficient, stable, reproducible standard and inverted perovskite solar cells and photovoltaic modules fabricated with affordable large area and environmentally friendly technologies, reducing to the minimum the pollutants during the fabrication process.
• strengthen the knowledge base concerning the application of environmental technology; new knowledge will be acquired regarding how PSCs can be optimized for large-scale applications and how can they be fabricated using environmentally friendly technologies with a low carbon footprint.