A highly hydrophobic fluorographene-based system as an interlayer for electron transport in organic-inorganic perovskite solar cells
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Journal of Materials Chemistry A, ISSN: 2050-7496, Vol: 6, Issue: 38, Page: 18635-18640
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- Chemistry; Energy; Materials Science
Degradation of perovskite halide materials under humid conditions is one of the major hurdles in the commercialization of organic-inorganic perovskite solar cells. Herein, we studied the interface between highly hydrophobic fluorographene (FGr) and cubic methylammonium lead iodide (MAPbI, MA: CH-NH) by employing density functional theory (DFT)-based simulations. We demonstrate that the adsorption of FGr on MAPbI results in the formation of a stable interface with appreciable binding energy (∼0.4 eV per Pb atom). Thorough assessment of energy-level alignment indicates that the FGr/MAPbI interface has desirable properties with regard to the electron transfer (hole blockage) process. These results underscore the potential of using FGr as an interlayer for electron transport between a perovskite layer and an electron transfer medium (such as TiO) as well as a moisture blocker for achieving high perovskite stability by perfect waterproofing. The future research study towards the integration of hydrophobic FGr or electronically optimized partially fluorinated graphene-based systems within perovskite halide photovoltaic devices may pave the way for stable and efficient solar cell technologies.