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Unexpected high binding energy of CO 2 on CH 3 NH 3 PbI 3 lead-halide organic-inorganic perovskites via bicarbonate formation.

M T Nayakasinghe, Yulun Han, N Sivapragasam, Dmitri S Kilin, U Burghaus
Chemical Communications : Chem Comm 2018 August 31
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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