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

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

North Dakota State University

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	9949-9952
Number of pages	4
Journal	Chemical Communications
Volume	54
Issue number	71
DOIs	https://doi.org/10.1039/c8cc04749a
Publication status	Published - 2018
Externally published	Yes

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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.",

author = "Nayakasinghe, \{M. T.\} and Yulun Han and N. Sivapragasam and Kilin, \{Dmitri S.\} and U. Burghaus",

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journal = "Chemical Communications",

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T1 - Unexpected high binding energy of CO2 on CH3NH3PbI3 lead-halide organic-inorganic perovskites

T2 - Via bicarbonate formation

AU - Nayakasinghe, M. T.

AU - Han, Yulun

AU - Sivapragasam, N.

AU - Kilin, Dmitri S.

AU - Burghaus, U.

N1 - Publisher Copyright: © The Royal Society of Chemistry 2018.

PY - 2018

Y1 - 2018

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/85052707424

U2 - 10.1039/c8cc04749a

DO - 10.1039/c8cc04749a

M3 - Article

C2 - 30116803

AN - SCOPUS:85052707424

SN - 1359-7345

VL - 54

SP - 9949

EP - 9952

JO - Chemical Communications

JF - Chemical Communications

IS - 71

ER -

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

Abstract

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