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Perovskite-based transport layer for hybrid perovskite solar cells

The detailed analyses of interface properties and device performance of inorganic perovskite CaMnO3- based buffer layer hybrid perovskite solar cell have been undertaken. Analyses are based on both ab initio simulations and macroscopic Poisson model. A thorough study of electronic and optical properties and interface charge dynamics revealed that CaMnO3 presents a better candidate for the electron transport material in thin film hole transporting material free hybrid perovskite solar cells with the planar architecture than the most common anatase TiO2. This result is founded on the more appropriate band gap and better band alignment with the hybrid perovskite, leading to the faster charge carrier mobility, improved charge transfer and reduced exciton recombination. Our model suggests an unoptimized device with a photo-conversion efficiency of almost 10% for the low defect concentrations under 1015. With efficiency in the upper range for HTM free perovskite solar cells, we propose that the CaMnO3- based solar cell poses as an improvement upon the up to now most frequently used ones and provides an important step toward their commercialisation.

Perovskite solar cell ; Electron transport layer ; Charge transfer ; Interface junction ; Density functional theory

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