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

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

doi:10.1039/C8CC04749A

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

M. T. Nayakasinghe,^a Yulun Han,

^a N. Sivapragasam,^a Dmitri S. Kilin

*^a and U. Burghaus

*^a

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* Corresponding authors

^a Department of Chemistry and Biochemistry, North Dakota State University (NDSU), Fargo, ND 58108, USA
E-mail: uwe.burghaus@ndsu.edu, dmitri.kilin@ndsu.edu
Web: http://www.uweburghaus.us/

Abstract

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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Article information

DOI: https://doi.org/10.1039/C8CC04749A
Article type: Communication
Submitted: 13 Jun 2018
Accepted: 08 Aug 2018
First published: 09 Aug 2018

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Chem. Commun., 2018,54, 9949-9952

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

M. T. Nayakasinghe, Y. Han, N. Sivapragasam, D. S. Kilin and U. Burghaus, Chem. Commun., 2018, 54, 9949 DOI: 10.1039/C8CC04749A

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