The perovskite solar cells have attracted much attention recently due to their low fabrication cost and high power conversion efficiency. However, the instability of such devices remained a serious challenge, which is yet to be resolved despite many attempts. In this thesis, the moisture degradation mechanism has been uncovered. It was found that the perovskite structure can be reconstructed when annealed at around 90℃, which leads to a reversible device of a much higher device lifetime. Following the experimental explorations, modelling work has also been conducted to simulate the water diffusion during the degradation and recovery. It was found that the moisture diffusion was initiated at the surface imperfection, where the activation energy for diffusion can be reduced. Based on these discoveries, a fresh structural negotiation method has been proposed to obtain a stable FAPbI3 phase of a suitable bandgap for photovoltaics, which showed a reduced Gibbs free energy of 0.12eV compared with the δ phase. In addition, the activation energy for such phase transition was calculated to be 0.45eV, meaning that the discovered phase is protected by both thermodynamics and kinetics. All this opens an unprecedented avenue in perovskite research, which will hopefully be of intrinsic interest to the broad materials research community as well. / Thesis / Doctor of Philosophy (PhD)
| Identifer | oai:union.ndltd.org:mcmaster.ca/oai:macsphere.mcmaster.ca:11375/26863 |
| Date | January 2021 |
| Creators | Wang, Ryan Taoran |
| Contributors | Xu, Gu, Metallurgy and Materials Science |
| Source Sets | McMaster University |
| Language | English |
| Detected Language | English |
| Type | Thesis |
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