Unexpected high binding energy of CO₂ on CH₃NH₃PbI₃ lead-halide organic–inorganic perovskites via bicarbonate formation

Nayakasinghe, M. T.; Han, Yulun; Sivapragasam, N.; Kilin, Dmitri S.; Burghaus, U.

Unexpected high binding energy of CO₂ on CH₃NH₃PbI₃ lead-halide organic–inorganic perovskites via bicarbonate formation

2018

Nayakasinghe, M. T. | Han, Yulun | Sivapragasam, N. | Kilin, Dmitri S. | Burghaus, U.

The adsorption kinetics of CO₂ was experimentally characterized in ultra-high vacuum (UHV). Unexpectedly, high desorption temperatures (640 K, 170 kJ mol⁻¹) were seen. Density functional theory (DFT) calculations suggest the stabilization mechanism: bicarbonate formation in the defected perovskite film due to CO₂ and H₂O coadsorption.

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