Publication date: 1st July 2014
Our study focuses on materials development for Perovskite-based photovoltaics with special emphasis on the hole transport material (HTM) because we believe that it is the bottleneck in the overall carrier transport dynamics; a key to further improve the power conversion efficiency (PCE). Here, the energy level alignment is an important aspect. However, there seems to be no standard way to quantify the energy level of HTM’s. We will illustrate how energy levels are experimentally determined and its implication for materials development.We introduced a high throughput materials screening method to simulate electronic properties of HTM’s in order to accelerate our development. The simulation was based on Conductor-like Screening Method (COSMO) where Density Functional Theory (DFT) calculation is carried out taking into account surrounding molecules/ions to simulate condensed and disordered phase like amorphous materials. We could also demonstrate in our own measurement a high efficiency of a Perovskite photovoltaic cell. We will highlight practical approaches to advance the material development for Perovskite photovoltaics.