Fast oxygen diffusion and iodide defects mediate oxygen-induced degradation of perovskite solar cells

By Nicholas Aristidou, C. Eames, I. Sánchez-Molina, Xiangnan Bu, J. Kosco, M. Islam, S. Haque. Nature Communications, 2017

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Methylammonium lead halide perovskites are attracting intense interest as promising materials for next-generation solar cells, but serious issues related to long-term stability need to be addressed. Perovskite films based on CH3NH3PbI3 undergo rapid degradation when exposed to oxygen and light. Here, we report mechanistic insights into this oxygen-induced photodegradation from a range of experimental and computational techniques. We find fast oxygen diffusion into CH3NH3PbI3 films is accompanied by photo-induced formation of highly reactive superoxide species. Perovskite films composed of small crystallites show higher yields of superoxide and lower stability. Ab initio simulations indicate that iodide vacancies are the preferred sites in mediating the photo-induced formation of superoxide species from oxygen. Thin-film passivation with iodide salts is shown to enhance film and device stability. The understanding of degradation phenomena gained from this study is important for the future design and optimization of stable perovskite solar cells. Determining the degradation pathways in lead halide perovskites is key to its development as a viable solar technology. Aristidouet al. identify iodide vacancies as the preferred sites in mediating the photo-induced formation of superoxide species from intercalated oxygen.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/f2a5b05683c6361f5a90e44a145395e843e6f317

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Citations in the corpus

Metal Halide Perovskite Polycrystalline Films Exhibiting Properties of Single Crystals (2017, positive): “Recently, we reported experimental and theoretical evidence that oxygen diffusion into MAPbI3 films is accompanied by photoinduced formation of superoxide species (O2 ) at iodide vacancies over the timescales relevant to the enhancements we report here.(23) Here, we use density functional theory cal”