There are all types of plausible point defects in metal-halide perovskite crystals. Some are more prevalent than others due to a lower formation energy. Types of defects and their formation energy depend strongly on the perovskite formulation. Is there any database available for reference that lists defect types, energy level, formation energy, etc. sorted by the perovskite formulation?
Hello
Personally I didn't see any database like that, unfortunately.
The only thing I can suggest is looking through review articles or papers with DFT calculations of defect tolerance of every certain perovskite type and collect/summarize the data yourself.
For example, here you can find defect formation energies for MAPbI3 (DOI: 10.1039/C8EE00124C)
You can try these,
These databases can be used as references to identify the types of defects in metal-halide perovskites, their formation energy, and electronic structure. However, it is important to note that the calculated values in these databases may not always match the experimental values due to the inherent complexity of these materials.
- Badges
- Science method