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Perovskite heterostructures and solar cell applications

Perovskites, with their long list of interesting properties, have been in focus of large groups of scientists for over a decade. Together with that, the ability to easily swap cations inside the perovskite structure gives a vast variety of perovskites that can be investigated. In tandem with silicon, which is still primarily used as a material for solar cells, perovskites have been successfully used to achieve higher efficiency of solar cells compared to only silicon based solar cells. Joining different materials in a heterostructure can enhance their desired properties, while at the same time it can help in dealing with individual shortcomings. Interface modelling can therefore be a crucial tool in new solar cell material design. Using density functional theory (DFT) can help in predicting properties at the interface. After solving quantum mechanical equations by using DFT, we can look into certain physical quantities that are of interest for predicting newly obtained interface properties.

DFT, heterostructure, interface, perovskite, perovskite solar cells

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